Geometry & MOs

Info

ID:	130638
PubChem CID:	51091844
Reduced:	FSN3O3C13H14 (1)
Stoich.:	ABC3D3E13F14 (1)
Weight, g/mol:	338.120132
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	3.28
IP(EA), eV:	-9.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylimidazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)NC1=CC(=C(C=C1)N2C=CC=N2)F

DOS

IR

Vibrations