Geometry & MOs

Info

ID:

104520

PubChem CID:

50104480

Reduced:

ClN6O6C29H35 (1)

Stoich.:

AB6C6D29E35 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-226.58

Dipole, Da:

4.88

IP(EA), eV:

 -9.0(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[5-chloro-2-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations