Geometry & MOs

Info

ID:	141171
PubChem CID:	52830073
Reduced:	OSCl2N6C18H18 (1)
Stoich.:	ABC2D6E18F18 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	45.14
Dipole, Da:	3.36
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(4-benzamido-2,5-diethoxyphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2CCCCC2N3C1=NN=C3SCC4=CN5C=C(C=C(C5=N4)Cl)Cl

DOS

IR

Vibrations