Geometry & MOs

Info

ID:

111304

PubChem CID:

50361779

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-276.65

Dipole, Da:

4.46

IP(EA), eV:

 -8.85(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)F)C(=O)N5CCCCC5

DOS

IR

Vibrations