Geometry & MOs

Info

ID:	244645
PubChem CID:	99376196
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	366.17102
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	2.19
IP(EA), eV:	-9.27(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[(2R)-2-(2-chloro-5-methylphenoxy)propanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)CC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations