Geometry & MOs

Info

ID:	366217
PubChem CID:	127319666
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	345.081698
ΔH_f, kcal/mol:	-108.96
Dipole, Da:	5.89
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(carbamoylamino)-N-(1,1-dioxothian-3-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations