Geometry & MOs

Info

ID:	181039
PubChem CID:	76715551
Reduced:	FSN4O6C43H49 (1)
Stoich.:	ABC4D6E43F49 (1)
Weight, g/mol:	910.375755
ΔH_f, kcal/mol:	-205.28
Dipole, Da:	8.91
IP(EA), eV:	-8.9(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-acetamidoanilino)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=CC(=C1)F)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)C(=O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=CC(=C1)F)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):