Geometry & MOs

Info

ID:	227162
PubChem CID:	87560410
Reduced:	ClOH11C19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	448.115344
ΔH_f, kcal/mol:	45.35
Dipole, Da:	3.33
IP(EA), eV:	-8.29(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-(4-phenylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ium-5-yl]aniline

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C=CC(=C4C=O)Cl

DOS

IR

Vibrations