Geometry & MOs

Info

ID:

433134

PubChem CID:

135173271

Reduced:

SN2O5C24H24 (1)

Stoich.:

AB2C5D24E24 (1)

Weight, g/mol:

548.143964

ΔHf, kcal/mol:

-105.48

Dipole, Da:

11.15

IP(EA), eV:

 -9.43(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE)-N-[[4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]phenyl]-methyl-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)N=S(=O)(C)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations