Geometry & MOs

Info

ID:	273636
PubChem CID:	103771528
Reduced:	ClNSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-87.59
Dipole, Da:	1.69
IP(EA), eV:	-9.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-phenylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=C(S1)Cl)O

DOS

IR

Vibrations