Geometry & MOs

Info

ID:	136006
PubChem CID:	51964340
Reduced:	SN3O4C16H25 (1)
Stoich.:	AB3C4D16E25 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	8.78
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-benzylsulfanylpropanoyl]-N-pyridin-4-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])CN2CCCCC2

DOS

IR

Vibrations