Geometry & MOs

Info

ID:	34086
PubChem CID:	7889756
Reduced:	NSCl2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	372.175916
ΔH_f, kcal/mol:	-122.04
Dipole, Da:	6.35
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantyl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)O[C@H](C)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations