Geometry & MOs

Info

ID:	322756
PubChem CID:	126671030
Reduced:	ISF2O2H9C10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	154.135765
ΔH_f, kcal/mol:	-143.52
Dipole, Da:	5.44
IP(EA), eV:	-10.11(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-methyl-3-propan-2-ylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CC(C2=CC(=C(C=C2S1(=O)=O)F)F)I

DOS

IR

Vibrations