Geometry & MOs

Info

ID:	80059
PubChem CID:	49832577
Reduced:	SN2O3F4H24C26 (1)
Stoich.:	AB2C3D4E24F26 (1)
Weight, g/mol:	784.18802
ΔH_f, kcal/mol:	-275.19
Dipole, Da:	2.75
IP(EA), eV:	-9.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[[1-(5-quinolin-3-ylpyridin-2-yl)cyclopropyl]carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-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

C[C@H](C1=CC=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)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

C[C@H](C1=CC=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):