Geometry & MOs

Info

ID:

163180

PubChem CID:

57654090

Reduced:

S3N4O11C18H18 (1)

Stoich.:

A3B4C11D18E18 (1)

Weight, g/mol:

726.950229

ΔHf, kcal/mol:

-319.28

Dipole, Da:

8.89

IP(EA), eV:

 -9.04(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z)-2-[(5Z)-4,6-dioxo-5-[[4-(2-sulfooxyethylsulfonyl)-2-(trioxidanylsulfanyl)phenyl]hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)N/N=C\3/C=CC(=CC3=O)S(=O)(=O)CCOS(=O)(=O)O

DOS

IR

Vibrations