Geometry & MOs

Info

ID:	410473
PubChem CID:	135083271
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	290.091141
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	6.82
IP(EA), eV:	-8.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-thiol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=C(S2)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations