Geometry & MOs

Info

ID:

315441

PubChem CID:

126626724

Reduced:

N5C13H15 (1)

Stoich.:

A5B13C15 (1)

Weight, g/mol:

1225.934789

ΔHf, kcal/mol:

103.6

Dipole, Da:

5.22

IP(EA), eV:

 -7.92(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-4-amino-3-[2-[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinyl]-6-[(1,5-disulfonaphthalen-2-yl)hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

CN=C(N)NC1=CC=C(C=C1)N2C=CC=CN=C2

DOS

IR

Vibrations