Geometry & MOs

Info

ID:

103756

PubChem CID:

50072766

Reduced:

N5O6C36H45 (1)

Stoich.:

A5B6C36D45 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-206.19

Dipole, Da:

4.96

IP(EA), eV:

 -8.68(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations