Geometry & MOs

Info

ID:	191100
PubChem CID:	78103566
Reduced:	NO2H21C24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	464.125133
ΔH_f, kcal/mol:	-14.1
Dipole, Da:	3.33
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2(C3=CC=CC=C3NC2=O)CC(=O)C4=CC=CC=C4

DOS

IR

Vibrations