Geometry & MOs

Info

ID:	64866
PubChem CID:	29204116
Reduced:	ClSN2O4C16H23 (1)
Stoich.:	ABC2D4E16F23 (1)
Weight, g/mol:	408.277678
ΔH_f, kcal/mol:	-132.04
Dipole, Da:	9.33
IP(EA), eV:	-9.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)OC)C

DOS

IR

Vibrations