Geometry & MOs

Info

ID:	154980
PubChem CID:	56314540
Reduced:	SN2O3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	420.109684
ΔH_f, kcal/mol:	-68.96
Dipole, Da:	4.91
IP(EA), eV:	-8.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CC(=C(C(=C3)OC)OC)CC=C

DOS

IR

Vibrations