Geometry & MOs

Info

ID:

119781

PubChem CID:

50700889

Reduced:

ClN5O5C34H44 (1)

Stoich.:

AB5C5D34E44 (1)

Weight, g/mol:

722.275024

ΔHf, kcal/mol:

-195.04

Dipole, Da:

7.5

IP(EA), eV:

 -8.91(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC=C4C(=O)N5CCOCC5)C

DOS

IR

Vibrations