Geometry & MOs

Info

ID:

118326

PubChem CID:

50638716

Reduced:

Cl2O5N6C28H34 (1)

Stoich.:

A2B5C6D28E34 (1)

Weight, g/mol:

642.293261

ΔHf, kcal/mol:

-193.09

Dipole, Da:

5.72

IP(EA), eV:

 -9.32(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)NC)Cl

DOS

IR

Vibrations