Geometry & MOs

Info

ID:	62815
PubChem CID:	26737004
Reduced:	N5O5H17C18 (1)
Stoich.:	A5B5C17D18 (1)
Weight, g/mol:	430.093164
ΔH_f, kcal/mol:	-104.99
Dipole, Da:	10.94
IP(EA), eV:	-9.36(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations