Geometry & MOs

Info

ID:

320183

PubChem CID:

126658573

Reduced:

N6O6C29H38 (1)

Stoich.:

A6B6C29D38 (1)

Weight, g/mol:

1221.926811

ΔHf, kcal/mol:

-196.99

Dipole, Da:

4.16

IP(EA), eV:

 -8.66(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-6-[(4-ethynylsulfanyl-2-nitrophenyl)hydrazinylidene]-5-oxo-3-[[5-oxo-1,7-disulfo-6-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-yl]diazenyl]naphthalene-1,7-disulfonic acid

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C1=NC(=CO1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(C)C2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations