Geometry & MOs

Info

ID:	366177
PubChem CID:	127319586
Reduced:	NS2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	347.041664
ΔH_f, kcal/mol:	-127.31
Dipole, Da:	2.43
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)sulfanyl-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations