Geometry & MOs

Info

ID:	138574
PubChem CID:	52385972
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	274.053789
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	3.43
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(3-oxo-3-thiophen-2-ylpropyl)amino]benzoate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CN(CC=C)C(=O)[C@H]2CCCO2

DOS

IR

Vibrations