Geometry & MOs

Info

ID:	158108
PubChem CID:	56462994
Reduced:	SN2F3O3C20H21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	398.98525
ΔH_f, kcal/mol:	-231.39
Dipole, Da:	8.54
IP(EA), eV:	-9.43(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-2-(difluoromethyl)-N-methyl-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F

DOS

IR

Vibrations