Geometry & MOs

Info

ID:

115779

PubChem CID:

50533906

Reduced:

Cl2O5N6C34H46 (1)

Stoich.:

A2B5C6D34E46 (1)

Weight, g/mol:

714.306324

ΔHf, kcal/mol:

-239.95

Dipole, Da:

6.94

IP(EA), eV:

 -9.05(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations