Geometry & MOs

Info

ID:	392131
PubChem CID:	135013195
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-98.56
Dipole, Da:	7.04
IP(EA), eV:	-9.25(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,11-dimethyl-3-(4-methylphenyl)sulfonyl-3-azatricyclo[5.2.2.01,5]undec-10-en-9-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC4C(=CC3(C2)C(=O)C4(C)C)C

DOS

IR

Vibrations