Geometry & MOs

Info

ID:	122478
PubChem CID:	50808654
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	506.260314
ΔH_f, kcal/mol:	-165.74
Dipole, Da:	9.59
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-adamantyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations