Geometry & MOs

Info

ID:	430010
PubChem CID:	135170067
Reduced:	SO2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	614.218569
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	2.99
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-5-oxo-2-(4-oxoadamantane-1-carbonyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=CC=C1)S(=O)C2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations