Geometry & MOs

Info

ID:	405898
PubChem CID:	135075897
Reduced:	SF3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	342.128966
ΔH_f, kcal/mol:	-337.21
Dipole, Da:	4.53
IP(EA), eV:	-9.22(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethyl-11-phenoxycarbothioyloxytricyclo[5.3.1.03,8]undec-5-en-2-one

Drug info:

PubChemData

Smile

CC(C)C1=C[C@](CC1)(C)CC(=O)C2=C(C=CC=C2OS(=O)(=O)C(F)(F)F)OC

DOS

IR

Vibrations