Geometry & MOs

Info

ID:	385986
PubChem CID:	134980472
Reduced:	SO4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	336.187801
ΔH_f, kcal/mol:	-204.61
Dipole, Da:	3.32
IP(EA), eV:	-8.19(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3Z,5S,6S)-3-benzylidene-1-methyl-5,6-diphenylbicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC(C1CCC(C1CSC2=CC=CC=C2)(C)OC(=O)C(C)(C)C)C(=O)OC

DOS

IR

Vibrations