Geometry & MOs

Info

ID:	181529
PubChem CID:	76756671
Reduced:	BNO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	404.013678
ΔH_f, kcal/mol:	-190.15
Dipole, Da:	1.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753951
Charge, e:	-2

Chem-info

IUPAC name:

4-[2-[6-(methylidene-oxido-oxo-lambda6-sulfanyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]benzenesulfonate

Drug info:

PubChemData

Smile

B1(C2=C(C=CC=C2OCCCO)C(O1)C[NH3+])O

DOS

IR

Vibrations