Geometry & MOs

Info

ID:	135822
PubChem CID:	51940737
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	4.45
IP(EA), eV:	-9.49(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C2)CC3=CC=CC=N3

DOS

IR

Vibrations