Geometry & MOs

Info

ID:

118972

PubChem CID:

50665486

Reduced:

ClN5O5C33H44 (1)

Stoich.:

AB5C5D33E44 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-207.18

Dipole, Da:

11.63

IP(EA), eV:

 -8.51(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations