Geometry & MOs

Info

ID:	22508
PubChem CID:	597393
Reduced:	S2O4C10H11 (2)
Stoich.:	A2B4C10D11 (2)
Weight, g/mol:	518.019752
ΔH_f, kcal/mol:	-267.49
Dipole, Da:	4.06
IP(EA), eV:	-8.83(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxysulfinylethyl 2-[[3-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate

Drug info:

PubChemData

Smile

COS(=O)CCOC(=O)C1=CC(=CC=C1)SSC2=CC=CC=C2C(=O)OCCS(=O)OC

DOS

IR

Vibrations