Geometry & MOs

Info

ID:	273230
PubChem CID:	103770731
Reduced:	ClNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	3.25
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSC1=CC=CC=C1Cl)O

DOS

IR

Vibrations