Geometry & MOs

Info

ID:	273223
PubChem CID:	103770716
Reduced:	ClNSO2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	315.105978
ΔH_f, kcal/mol:	-105.04
Dipole, Da:	2.55
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CCSC1=CC=CC=C1Cl)O

DOS

IR

Vibrations