Geometry & MOs

Info

ID:	137570
PubChem CID:	52228819
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	5.0
IP(EA), eV:	-9.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CN=CN3C4=CC=CC=C4

DOS

IR

Vibrations