Geometry & MOs

Info

ID:

219461

PubChem CID:

85148707

Reduced:

SN3O5C27H33 (1)

Stoich.:

AB3C5D27E33 (1)

Weight, g/mol:

511.00538

ΔHf, kcal/mol:

-202.54

Dipole, Da:

5.33

IP(EA), eV:

 -9.35(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-(3-cyano-2-sulfanylidene-4-thiophen-2-yl-3H-pyridin-6-yl)pyridin-3-yl]-2-sulfanylidene-4-thiophen-2-yl-3H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCSC3=O

DOS

IR

Vibrations