Geometry & MOs

Info

ID:	246652
PubChem CID:	103064390
Reduced:	SN2O3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	267.038771
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	6.43
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyprop-1-ynyl)-N-(thiolan-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC=CN2CC(=O)O

DOS

IR

Vibrations