Geometry & MOs

Info

ID:	125264
PubChem CID:	50917629
Reduced:	PN3O4C27H44 (1)
Stoich.:	AB3C4D27E44 (1)
Weight, g/mol:	376.090665
ΔH_f, kcal/mol:	-281.91
Dipole, Da:	1.7
IP(EA), eV:	-8.44(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis[[(Z)-3-carboxybut-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C(C)(C)C)NC1=CC=C(C=C1)CNC(=O)NC23CC4CC(C2)CC(C4)C3)OCC

DOS

IR

Vibrations