Geometry & MOs

Info

ID:

113557

PubChem CID:

50450888

Reduced:

ClF2O5N6C38H41 (1)

Stoich.:

AB2C5D6E38F41 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-262.74

Dipole, Da:

8.3

IP(EA), eV:

 -9.02(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCC5)Cl)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations