Geometry & MOs

Info

ID:	202592
PubChem CID:	79696465
Reduced:	SN2O2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	313.04425
ΔH_f, kcal/mol:	50.7
Dipole, Da:	6.07
IP(EA), eV:	-9.37(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NC(=O)C2=CSC(=C2)C#CCO

DOS

IR

Vibrations