Geometry & MOs

Info

ID:	162899
PubChem CID:	57578310
Reduced:	SO5C25H38 (1)
Stoich.:	AB5C25D38 (1)
Weight, g/mol:	493.329053
ΔH_f, kcal/mol:	-240.95
Dipole, Da:	9.65
IP(EA), eV:	-9.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=O)OC2=CC=CC=C21

DOS

IR

Vibrations