Geometry & MOs

Info

ID:	202591
PubChem CID:	79696345
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	282.046299
ΔH_f, kcal/mol:	-80.24
Dipole, Da:	4.96
IP(EA), eV:	-9.46(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCO)C(=O)C1=CSC(=C1)C#CCCO

DOS

IR

Vibrations