Geometry & MOs

Info

ID:	433876
PubChem CID:	135174019
Reduced:	Cl2O5N6H30C34 (1)
Stoich.:	A2B5C6D30E34 (1)
Weight, g/mol:	264.048797
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	6.71
IP(EA), eV:	-8.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1O)C(=O)NC2=CC=CC(=C2Cl)C3=C(C(=CC=C3)NC4=NC=CC5=CC(=CN=C54)CN6CC(C6)C(=O)OC)Cl)C=O

DOS

IR

Vibrations