Geometry & MOs

Info

ID:

298442

PubChem CID:

117649508

Reduced:

N2S4O13C43H46 (1)

Stoich.:

A2B4C13D43E46 (1)

Weight, g/mol:

821.102588

ΔHf, kcal/mol:

-439.17

Dipole, Da:

15.36

IP(EA), eV:

 -8.86(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,6-bis(ethoxysulfonyl)-8-oxo-7-[[3-(sulfinoamino)phenyl]hydrazinylidene]naphthalen-1-yl]amino]-4-methyl-6-[2-(sulfinoamino)anilino]-1,3,5-triazine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1NC2=CC3=C(C=C2)C(=C4C=C(C(=NC5=C(C=C(C=C5C(C)C)S(=O)(=O)O)C(C)C)C=C4O3)S(=O)(=O)O)C6=CC=CC=C6S(=O)(=O)O)C(C)C)S(=O)(=O)O

DOS

IR

Vibrations