Geometry & MOs

Info

ID:	273739
PubChem CID:	103799476
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	317.085242
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	4.12
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CC1=CC=CS1

DOS

IR

Vibrations