Geometry & MOs

Info

ID:	167010
PubChem CID:	74765200
Reduced:	N3O13C33H37 (1)
Stoich.:	A3B13C33D37 (1)
Weight, g/mol:	522.215472
ΔH_f, kcal/mol:	-544.07
Dipole, Da:	7.15
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-methylphenyl)-diphenylmethyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations