Geometry & MOs

Info

ID:	390788
PubChem CID:	135000950
Reduced:	NO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-53.98
Dipole, Da:	1.86
IP(EA), eV:	-8.92(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]hept-6-ene

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(CC=C)C(CC(=O)OC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations