Geometry & MOs

Info

ID:

103992

PubChem CID:

50086687

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-235.66

Dipole, Da:

6.82

IP(EA), eV:

 -8.51(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC(=C2NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C)C

DOS

IR

Vibrations