Geometry & MOs

Info

ID:	158077
PubChem CID:	56462781
Reduced:	F2O2N4H16C23 (1)
Stoich.:	A2B2C4D16E23 (1)
Weight, g/mol:	417.087116
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	4.13
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)COC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F

DOS

IR

Vibrations