Geometry & MOs

Info

ID:	128014
PubChem CID:	51026539
Reduced:	SF8H14C19 (1)
Stoich.:	AB8C14D19 (1)
Weight, g/mol:	390.165351
ΔH_f, kcal/mol:	-343.12
Dipole, Da:	3.85
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R)-7-benzhydrylidene-5-tert-butylsulfonyl-6-methylidenebicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C1=CC=C2[C@H]3C4C=CC=CC4[C@H](C2=C1)C(S3)C(C(C(C(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations