Geometry & MOs

Info

ID:	158010
PubChem CID:	56459400
Reduced:	SO2N4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	403.150761
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	3.82
IP(EA), eV:	-8.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)CCN4CCOCC4

DOS

IR

Vibrations