Geometry & MOs

Info

ID:

44686

PubChem CID:

10505362

Reduced:

SN2O5C27H30 (1)

Stoich.:

AB2C5D27E30 (1)

Weight, g/mol:

494.260314

ΔHf, kcal/mol:

-139.39

Dipole, Da:

6.43

IP(EA), eV:

 -8.9(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(E)-2-(3,5-dimethyl-4-propoxyphenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)C3=C(OC4CCCCCCC4C3=O)O

DOS

IR

Vibrations