Geometry & MOs

Info

ID:	408458
PubChem CID:	135081224
Reduced:	SCl5C7H7 (1)
Stoich.:	AB5C7D7 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-15.98
Dipole, Da:	2.91
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)S/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl

DOS

IR

Vibrations