Geometry & MOs

Info

ID:	131060
PubChem CID:	51149703
Reduced:	ClSN2O3C15H23 (1)
Stoich.:	ABC2D3E15F23 (1)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	2.02
IP(EA), eV:	-9.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations