Geometry & MOs

Info

ID:	326852
PubChem CID:	126688415
Reduced:	BrSO4N5H16C18 (1)
Stoich.:	ABC4D5E16F18 (1)
Weight, g/mol:	500.187126
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	7.11
IP(EA), eV:	-9.34(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1COS(=O)(=O)N)N2C=NC3=C(N=CN=C32)C#CC4=CC(=CC=C4)Br

DOS

IR

Vibrations