Geometry & MOs

Info

ID:

226762

PubChem CID:

87558167

Reduced:

SO2C24H34 (3)

Stoich.:

AB2C24D34 (3)

Weight, g/mol:

458.037489

ΔHf, kcal/mol:

-329.86

Dipole, Da:

5.51

IP(EA), eV:

 -8.01(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methylsulfonylphenyl)methyl N'-[2-(carbamimidoylsulfanylmethyl)-4-fluorophenyl]sulfanylcarbamimidothioate

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)CCCCCCCC)O.CC1=CC(=CC(=C1O)C(C)(C)C)SC2=CC(=C(C(=C2)C)O)C(C)(C)C.CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O

DOS

IR

Vibrations