Geometry & MOs

Info

ID:	64966
PubChem CID:	29204266
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	348.085639
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	4.7
IP(EA), eV:	-8.98(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations