Geometry & MOs

Info

ID:	188735
PubChem CID:	77760630
Reduced:	N7O7C22H27 (1)
Stoich.:	A7B7C22D27 (1)
Weight, g/mol:	328.082599
ΔH_f, kcal/mol:	-231.67
Dipole, Da:	6.45
IP(EA), eV:	-9.2(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzoyl-(2-chloroethylamino)amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1CN=C(N1)NCCCC2C(=O)N(C(=O)N2)CC(=O)NCC(C(=O)O)NC(=O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations