Geometry & MOs

Info

ID:	190714
PubChem CID:	78046351
Reduced:	O2F4N6C25H26 (1)
Stoich.:	A2B4C6D25E26 (1)
Weight, g/mol:	715.365278
ΔH_f, kcal/mol:	-175.36
Dipole, Da:	5.45
IP(EA), eV:	-8.66(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,16-dibutoxy-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-14-hydroxy-19-phenyl-6-oxa-7,18-diazapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-10,12-dione

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

CC1C(CNN1)C(C2=CC(=C(C=C2)OC)F)NC(=O)C3=CC4=NC(=NC=C4C(=C3)F)NC5CC(C5)(F)F

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

CC1C(CNN1)C(C2=CC(=C(C=C2)OC)F)NC(=O)C3=CC4=NC(=NC=C4C(=C3)F)NC5CC(C5)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):