Geometry & MOs

Info

ID:	245509
PubChem CID:	99453632
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	475.142947
ΔH_f, kcal/mol:	-173.69
Dipole, Da:	6.04
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3,4-dichlorobenzoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2CCCC3=C(C=CC=C32)C(=O)OC)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations