Geometry & MOs

Info

ID:

113801

PubChem CID:

50458943

Reduced:

F3O4N5C34H38 (1)

Stoich.:

A3B4C5D34E38 (1)

Weight, g/mol:

637.287589

ΔHf, kcal/mol:

-280.58

Dipole, Da:

6.76

IP(EA), eV:

 -8.78(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(2-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations