Geometry & MOs

Info

ID:	398564
PubChem CID:	135033907
Reduced:	NS2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	347.155515
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	5.77
IP(EA), eV:	-9.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(benzenesulfonyl)-12-methyl-2-azatricyclo[5.3.3.01,6]tridecan-9-one

Drug info:

PubChemData

Smile

CC1CCCC(C1)OC2=C(N=CS2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations