Geometry & MOs

Info

ID:	188775
PubChem CID:	77763911
Reduced:	ClNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-121.7
Dipole, Da:	8.02
IP(EA), eV:	-10.26(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1,7-diamino-2-oxoheptyl)-1-(2-naphthalen-2-ylethyl)-2-oxopyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(C1(CC(=CC=C1)C=C(C(=O)C)C(=O)O)[N+](=O)[O-])Cl

DOS

IR

Vibrations