Geometry & MOs

Info

ID:	157916
PubChem CID:	56458998
Reduced:	SN2F3O4C21H21 (1)
Stoich.:	AB2C3D4E21F21 (1)
Weight, g/mol:	439.105623
ΔH_f, kcal/mol:	-270.89
Dipole, Da:	4.05
IP(EA), eV:	-8.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2CSCN2C(=O)C3=CC=C(C=C3)COCC(F)(F)F

DOS

IR

Vibrations