Geometry & MOs

Info

ID:

223882

PubChem CID:

85335697

Reduced:

N5O8C32H51 (1)

Stoich.:

A5B8C32D51 (1)

Weight, g/mol:

638.288654

ΔHf, kcal/mol:

-366.06

Dipole, Da:

5.1

IP(EA), eV:

 -9.13(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[6-[[6-(6-ethyl-3-oxo-4-pyrazolidin-3-ylidenecyclohexa-1,5-dien-1-yl)oxy-2,2-dimethylhexyl]carbamoyl]pyridin-3-yl]hydrazinyl]methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)CCC(C(=O)NC(C)C(=O)NC(CC(C)C)C=O)NC(=O)C(C(C)CC)NNC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations