Geometry & MOs

Info

ID:	190387
PubChem CID:	77995590
Reduced:	N2Na2O7C15H16 (1)
Stoich.:	A2B2C7D15E16 (1)
Weight, g/mol:	338.111401
ΔH_f, kcal/mol:	-368.58
Dipole, Da:	13.36
IP(EA), eV:	-8.92(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(1-carboxy-2-hydroxyethyl)iminomethyl]-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CNC(CO)C(=O)[O-])C(=O)C(=C1)C=NC(CO)C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations