Geometry & MOs

Info

ID:	175231
PubChem CID:	75871339
Reduced:	NSO4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	430.093164
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	3.76
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)COC(=O)C2=CC(=C(C(=C2)OC)OC)C=CC

DOS

IR

Vibrations