Geometry & MOs

Info

ID:	217316
PubChem CID:	85087605
Reduced:	BrOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	355.06055
ΔH_f, kcal/mol:	19.33
Dipole, Da:	1.88
IP(EA), eV:	-9.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methylpiperidin-2-one

Drug info:

PubChemData

Smile

C1CC2C(CC1N2)NC(=O)C3=CC4=C(C=C3)SC(=N4)Br

DOS

IR

Vibrations