Geometry & MOs

Info

ID:

95025

PubChem CID:

50005818

Reduced:

FO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-250.29

Dipole, Da:

12.2

IP(EA), eV:

 -8.73(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations