Geometry & MOs

Info

ID:	335839
PubChem CID:	127254701
Reduced:	SO3N5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	410.156575
ΔH_f, kcal/mol:	-16.49
Dipole, Da:	8.48
IP(EA), eV:	-8.42(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-methyl-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propyl]pyridin-2-one

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CCN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations