Geometry & MOs

Info

ID:	273130
PubChem CID:	103770543
Reduced:	ClNSO2C16H24 (1)
Stoich.:	ABCD2E16F24 (1)
Weight, g/mol:	329.121628
ΔH_f, kcal/mol:	-106.82
Dipole, Da:	2.33
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfanyl-N-(3-ethyl-2-hydroxypentyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations