Geometry & MOs

Info

ID:

111104

PubChem CID:

50352253

Reduced:

FN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-251.48

Dipole, Da:

4.52

IP(EA), eV:

 -8.97(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations