Geometry & MOs

Info

ID:	158133
PubChem CID:	56463037
Reduced:	ClN4O4C24H25 (1)
Stoich.:	AB4C4D24E25 (1)
Weight, g/mol:	466.142817
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	2.84
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)N3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations