Geometry & MOs

Info

ID:	273129
PubChem CID:	103770542
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	329.121628
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	5.58
IP(EA), eV:	-10.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)sulfanyl-N-(3-ethyl-2-hydroxypentyl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations