Geometry & MOs

Info

ID:

168570

PubChem CID:

74989517

Reduced:

ClO2N3H12C16 (1)

Stoich.:

AB2C3D12E16 (1)

Weight, g/mol:

781.250916

ΔHf, kcal/mol:

38.21

Dipole, Da:

5.39

IP(EA), eV:

 -9.07(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-dichloro-N-[3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[3-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(=O)C(=NNC1=CC=CC=C1C#N)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations