Geometry & MOs

Info

ID:

150203

PubChem CID:

53789890

Reduced:

OC16H27 (2)

Stoich.:

AB16C27 (2)

Weight, g/mol:

1263.984308

ΔHf, kcal/mol:

-149.01

Dipole, Da:

2.87

IP(EA), eV:

 -9.18(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[6-[N-formyl-4-[4-[formyl-[3-oxo-2-(4,6,8-trisulfonaphthalen-1-yl)-1H-indazol-6-yl]amino]benzoyl]anilino]-3-oxo-1H-indazol-2-yl]naphthalene-1,3,5-trisulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCC=CC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations