Geometry & MOs

Info

ID:

163995

PubChem CID:

74381303

Reduced:

O5N10C43H52 (1)

Stoich.:

A5B10C43D52 (1)

Weight, g/mol:

350.093643

ΔHf, kcal/mol:

-137.78

Dipole, Da:

5.05

IP(EA), eV:

 -8.04(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-3-[2-(2-oxo-4a,5,6,7,8,8a-hexahydronaphthalen-1-ylidene)hydrazinyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CCCN)C(=O)N)N

DOS

IR

Vibrations