Geometry & MOs

Info

ID:	158131
PubChem CID:	56463034
Reduced:	SN2O2C24H30 (1)
Stoich.:	AB2C2D24E30 (1)
Weight, g/mol:	399.100618
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	4.59
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCSC3=CC=CC=C3

DOS

IR

Vibrations