Geometry & MOs

Info

ID:	32911
PubChem CID:	7849390
Reduced:	SN2O6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	419.176644
ΔH_f, kcal/mol:	-261.29
Dipole, Da:	8.6
IP(EA), eV:	-10.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylmethylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(=O)NC2CCCCC2

DOS

IR

Vibrations