Geometry & MOs

Info

ID:	191078
PubChem CID:	78102316
Reduced:	NO7C32H33 (1)
Stoich.:	AB7C32D33 (1)
Weight, g/mol:	460.17467
ΔH_f, kcal/mol:	-167.68
Dipole, Da:	7.69
IP(EA), eV:	-8.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC(C1=CC=CC=C1)C(C(=O)C=CC2=CC(=C(C=C2)OC)OC)C(=O)C=CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations