Geometry & MOs

Info

ID:	392811
PubChem CID:	135018033
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	527.125003
ΔH_f, kcal/mol:	31.97
Dipole, Da:	4.64
IP(EA), eV:	-8.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-phenylsulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=O)N(C4=C2C=C(C=C4)C)C

DOS

IR

Vibrations