Geometry & MOs

Info

ID:

116778

PubChem CID:

50575455

Reduced:

ClN3O3C16H20 (2)

Stoich.:

AB3C3D16E20 (2)

Weight, g/mol:

660.259374

ΔHf, kcal/mol:

-250.09

Dipole, Da:

8.87

IP(EA), eV:

 -8.86(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[2-[4-chloro-2-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations