Geometry & MOs

Info

ID:	273222
PubChem CID:	103770715
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	315.105978
ΔH_f, kcal/mol:	-104.45
Dipole, Da:	5.19
IP(EA), eV:	-10.17(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations