Geometry & MOs

Info

ID:	142429
PubChem CID:	53033206
Reduced:	F2N2S2O3H18C20 (1)
Stoich.:	A2B2C2D3E18F20 (1)
Weight, g/mol:	448.068213
ΔH_f, kcal/mol:	-138.4
Dipole, Da:	8.22
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-2-methylphenyl)sulfonyl-2-(4-ethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC3=C(S2)CN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations