Geometry & MOs

Info

ID:	142428
PubChem CID:	53033205
Reduced:	N2S2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	436.072691
ΔH_f, kcal/mol:	-52.22
Dipole, Da:	9.25
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-difluorophenyl)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=CC=CC(=C4)C

DOS

IR

Vibrations