Geometry & MOs

Info

ID:	218975
PubChem CID:	85090281
Reduced:	OSC23H30 (1)
Stoich.:	ABC23D30 (1)
Weight, g/mol:	437.111936
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	3.49
IP(EA), eV:	-8.38(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-1-(4-methylphenyl)sulfonyl-6-phenyl-5-phenylsulfanylpiperidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)S[C@H]2CCCO[C@@H]2C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations