Geometry & MOs

Info

ID:	32982
PubChem CID:	7849934
Reduced:	NSO5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	405.050479
ΔH_f, kcal/mol:	-160.98
Dipole, Da:	10.05
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-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=C(N(C(=C2)C)C3CC3)C

DOS

IR

Vibrations