Geometry & MOs

Info

ID:

117722

PubChem CID:

50612925

Reduced:

Cl2O5N6C32H38 (1)

Stoich.:

A2B5C6D32E38 (1)

Weight, g/mol:

750.306324

ΔHf, kcal/mol:

-213.48

Dipole, Da:

4.72

IP(EA), eV:

 -9.21(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-chloro-5-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N)Cl

DOS

IR

Vibrations