Geometry & MOs

Info

ID:

105534

PubChem CID:

50111225

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-222.83

Dipole, Da:

8.45

IP(EA), eV:

 -8.8(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-[4-methyl-3-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations