Geometry & MOs

Info

ID:

309269

PubChem CID:

126541436

Reduced:

N3O6C21H25 (2)

Stoich.:

A3B6C21D25 (2)

Weight, g/mol:

432.161529

ΔHf, kcal/mol:

-443.08

Dipole, Da:

4.43

IP(EA), eV:

 -8.77(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[[2-[(3,3-dimethyl-5-sulfanylpentyl)sulfanylmethyl]phenyl]methyl] 2-ethylbenzenecarbothioate

Drug info:

PubChemData

Smile

CCC(COC(=O)NC1=CC=CC(=C1C)NC(=O)OCC=C)(COC(=O)NC2=CC=CC(=C2C)NC(=O)OCC=C)COC(=O)NC3=CC=CC(=C3C)NC(=O)OCC=C

DOS

IR

Vibrations