Geometry & MOs

Info

ID:	391562
PubChem CID:	135006558
Reduced:	OSSnC26H40 (1)
Stoich.:	ABCD26E40 (1)
Weight, g/mol:	353.108565
ΔH_f, kcal/mol:	-28.71
Dipole, Da:	4.6
IP(EA), eV:	-8.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-6-methyl-3-(4-methylphenyl)sulfonyl-7-phenyl-3-azabicyclo[3.2.0]hept-6-en-2-one

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)CC1=CC=CC=C1[S@@](=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations