Geometry & MOs

Info

ID:

119305

PubChem CID:

50677373

Reduced:

Cl2N6O7C32H38 (1)

Stoich.:

A2B6C7D32E38 (1)

Weight, g/mol:

686.238638

ΔHf, kcal/mol:

-265.78

Dipole, Da:

8.26

IP(EA), eV:

 -9.21(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)N3CCOCC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations