Geometry & MOs

Info

ID:	402904
PubChem CID:	135057770
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	660.831573
ΔH_f, kcal/mol:	-55.31
Dipole, Da:	2.31
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)sulfonyl-5-(2,3,4,5,6-pentachlorophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)-1,4,2-oxathiazole

Drug info:

PubChemData

Smile

CCOC(=O)N1CN=CC2=C1C=CC(=C2)Cl

DOS

IR

Vibrations