Geometry & MOs

Info

ID:	273585
PubChem CID:	103771421
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	2.02
IP(EA), eV:	-9.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)COC1=CC=C(C=C1)C#N)O

DOS

IR

Vibrations