Geometry & MOs

Info

ID:	55365
PubChem CID:	17395294
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	338.049191
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	5.09
IP(EA), eV:	-8.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-amino-4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations