Geometry & MOs

Info

ID:	137492
PubChem CID:	52214274
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	330.18559
ΔH_f, kcal/mol:	-141.84
Dipole, Da:	4.36
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H]2CCCN2C(=O)N[C@@H](C)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations