Geometry & MOs

Info

ID:

117017

PubChem CID:

50585331

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-195.59

Dipole, Da:

12.48

IP(EA), eV:

 -8.69(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)NC5=CC=CC=C5)Cl)Cl

DOS

IR

Vibrations