Geometry & MOs

Info

ID:	53925
PubChem CID:	14718394
Reduced:	NaN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	388.103516
ΔH_f, kcal/mol:	-188.58
Dipole, Da:	12.15
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate

Drug info:

PubChemData

Smile

CCC(C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+]

DOS

IR

Vibrations