Geometry & MOs

Info

ID:	204588
PubChem CID:	79986831
Reduced:	BrClNOSC15H15 (1)
Stoich.:	ABCDEF15G15 (1)
Weight, g/mol:	298.160266
ΔH_f, kcal/mol:	-3.37
Dipole, Da:	5.66
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethyl-1-adamantyl)-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N(C)C(C)C2=CC=CC=C2Cl)Br

DOS

IR

Vibrations