Geometry & MOs

Info

ID:	169173
PubChem CID:	75069909
Reduced:	ClON2C25H29 (1)
Stoich.:	ABC2D25E29 (1)
Weight, g/mol:	483.119713
ΔH_f, kcal/mol:	8.3
Dipole, Da:	4.35
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(2-chloro-6-methylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC3CCC(C2C4=CC(=NO4)C5=CC=C(C=C5)C)N3C.Cl

DOS

IR

Vibrations