Geometry & MOs

Info

ID:

118803

PubChem CID:

50659616

Reduced:

Cl2O4N5C32H33 (1)

Stoich.:

A2B4C5D32E33 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-118.17

Dipole, Da:

4.1

IP(EA), eV:

 -8.84(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-methyl-3-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations