Geometry & MOs

Info

ID:	32941
PubChem CID:	7849659
Reduced:	SO6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	401.07555
ΔH_f, kcal/mol:	-200.01
Dipole, Da:	6.7
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations