Geometry & MOs

Info

ID:	168692
PubChem CID:	75003281
Reduced:	O7C25H28 (1)
Stoich.:	A7B25C28 (1)
Weight, g/mol:	477.138929
ΔH_f, kcal/mol:	-292.84
Dipole, Da:	8.69
IP(EA), eV:	-9.27(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[2-(2-amino-2-carboxyethylidene)-8-[(4-azido-2-hydroxybenzoyl)amino]octyl]-hydroxyphosphinate

Drug info:

PubChemData

Smile

CC1=C2CC(=C3C(C2=CC(=C1OC(=O)C)OC(=O)C)(CCC4C3(CC(=O)O4)C)C)C(=O)C

DOS

IR

Vibrations