Geometry & MOs

Info

ID:

117481

PubChem CID:

50604206

Reduced:

ClN5O5C25H28 (1)

Stoich.:

AB5C5D25E28 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-182.63

Dipole, Da:

9.43

IP(EA), eV:

 -9.17(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations