Geometry & MOs

Info

ID:	366606
PubChem CID:	127320135
Reduced:	SN2O5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	321.026013
ΔH_f, kcal/mol:	-196.07
Dipole, Da:	2.38
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations