Geometry & MOs

Info

ID:	245104
PubChem CID:	99437482
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	429.218305
ΔH_f, kcal/mol:	-42.51
Dipole, Da:	1.83
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[(5S,7S)-3-chloroadamantane-1-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CSC=N4)C(=O)N

DOS

IR

Vibrations