Geometry & MOs

Info

ID:	64913
PubChem CID:	29204189
Reduced:	N4O5H14C16 (1)
Stoich.:	A4B5C14D16 (1)
Weight, g/mol:	348.085639
ΔH_f, kcal/mol:	-62.85
Dipole, Da:	8.35
IP(EA), eV:	-9.91(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations