Geometry & MOs

Info

ID:

95197

PubChem CID:

50006945

Reduced:

N3O3C17H24 (2)

Stoich.:

A3B3C17D24 (2)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-258.35

Dipole, Da:

2.53

IP(EA), eV:

 -8.75(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N)OC

DOS

IR

Vibrations