Geometry & MOs

Info

ID:	50333
PubChem CID:	12012854
Reduced:	SO2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	569.339264
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	0.71
IP(EA), eV:	-9.21(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R,4R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenylsulfanyl]-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N,N-dicyclohexylmethanesulfonamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)SC(=O)CC(C2=CC=CC=C2)OC

DOS

IR

Vibrations