Geometry & MOs

Info

ID:	387366
PubChem CID:	134985107
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	4.01
IP(EA), eV:	-9.3(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6S)-3,4-dimethyl-6-nitrocyclohex-3-en-1-yl]sulfonylbenzene

Drug info:

PubChemData

Smile

CC(=C[C@H]1[C@H](N1S(=O)(=O)N(C)C)C2=CC=CC=C2)C

DOS

IR

Vibrations