Geometry & MOs

Info

ID:	401498
PubChem CID:	135051448
Reduced:	ClS2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	335.961844
ΔH_f, kcal/mol:	26.55
Dipole, Da:	15.23
IP(EA), eV:	-9.3(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5-methylsulfanyl-3-phenyl-1lambda4,2-dithiacyclopenta-3,5-dien-1-yl) sulfate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=S(S2)OCl(=O)(=O)=O)C3=CC=CC=C3OC

DOS

IR

Vibrations