Geometry & MOs

Info

ID:	271511
PubChem CID:	103681823
Reduced:	ClNSO3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	303.110456
ΔH_f, kcal/mol:	-132.48
Dipole, Da:	1.34
IP(EA), eV:	-8.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C)(CSC)O)OC1=CC=CC=C1Cl

DOS

IR

Vibrations