Geometry & MOs

Info

ID:	26782
PubChem CID:	798315
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	4.84
IP(EA), eV:	-10.4(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations