Geometry & MOs

Info

ID:	177880
PubChem CID:	76249094
Reduced:	SCl2O2N5H21C22 (1)
Stoich.:	AB2C2D5E21F22 (1)
Weight, g/mol:	404.161518
ΔH_f, kcal/mol:	5.14
Dipole, Da:	9.33
IP(EA), eV:	-9.1(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[3-(5-cyano-2,4-dimethyl-6-oxopiperidin-3-yl)propanoylamino]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C2C(=NN(C2=NC(=O)C1CCC(=O)NC3=NC=C(S3)CC4=C(C(=CC=C4)Cl)Cl)C)C

DOS

IR

Vibrations