Geometry & MOs

Info

ID:	32886
PubChem CID:	7849110
Reduced:	SN2O6C13H16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	390.150095
ΔH_f, kcal/mol:	-220.92
Dipole, Da:	6.81
IP(EA), eV:	-9.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NNC(=O)C

DOS

IR

Vibrations