Geometry & MOs

Info

ID:	131424
PubChem CID:	51203341
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-151.45
Dipole, Da:	8.42
IP(EA), eV:	-8.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)CCNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations