Geometry & MOs

Info

ID:	311630
PubChem CID:	126595869
Reduced:	FO2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	426.247835
ΔH_f, kcal/mol:	-174.28
Dipole, Da:	1.02
IP(EA), eV:	-8.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,5Z)-2,12-diamino-7-(3-amino-3-carboxypropyl)-5-ethylidene-8-methyliminotridec-6-enedioic acid

Drug info:

PubChemData

Smile

C=CC(O)OC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C=C)F)F

DOS

IR

Vibrations