Geometry & MOs

Info

ID:	128913
PubChem CID:	51063543
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	347.082744
ΔH_f, kcal/mol:	-198.16
Dipole, Da:	3.26
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(3-oxo-3-thiophen-2-ylpropyl)amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CCNC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations