Geometry & MOs

Info

ID:	346819
PubChem CID:	127271323
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	396.208279
ΔH_f, kcal/mol:	-189.06
Dipole, Da:	5.2
IP(EA), eV:	-9.15(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations