Geometry & MOs

Info

ID:

105411

PubChem CID:

50107139

Reduced:

F3N5O5C28H34 (1)

Stoich.:

A3B5C5D28E34 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-360.35

Dipole, Da:

12.05

IP(EA), eV:

 -8.79(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations