Geometry & MOs

Info

ID:	208024
PubChem CID:	80481802
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	277.023121
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	3.91
IP(EA), eV:	-9.16(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NCC1=C(C=CS1)C#CCO

DOS

IR

Vibrations