Geometry & MOs

Info

ID:	158116
PubChem CID:	56463008
Reduced:	ClN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	462.153718
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	5.18
IP(EA), eV:	-9.4(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations