Geometry & MOs

Info

ID:

112124

PubChem CID:

50396093

Reduced:

F2O5N6C40H50 (1)

Stoich.:

A2B5C6D40E50 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-296.24

Dipole, Da:

9.23

IP(EA), eV:

 -8.37(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-[(3-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations