Geometry & MOs

Info

ID:

222982

PubChem CID:

85333632

Reduced:

SO6N15C32H53 (1)

Stoich.:

AB6C15D32E53 (1)

Weight, g/mol:

778.260725

ΔHf, kcal/mol:

-209.39

Dipole, Da:

3.32

IP(EA), eV:

 -8.4(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[5-[3-[3-[6-[(2,6-dimethylphenyl)sulfanylmethyl]-3-(2-phenylethoxy)pyridin-2-yl]prop-2-enoylamino]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations