Geometry & MOs

Info

ID:	391564
PubChem CID:	135006562
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	339.1293
ΔH_f, kcal/mol:	-7.5
Dipole, Da:	6.29
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S)-6-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-3-azabicyclo[4.1.0]hept-4-ene

Drug info:

PubChemData

Smile

C1CC[C@]23COC(=O)[C@H]2C(=C3C1)C4=CC=CC=C4

DOS

IR

Vibrations