Geometry & MOs

Info

ID:	273482
PubChem CID:	103771195
Reduced:	ClNO2S2C13H20 (1)
Stoich.:	ABC2D2E13F20 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	0.99
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSCC1=CC=C(S1)Cl)O

DOS

IR

Vibrations