Geometry & MOs

Info

ID:

108257

PubChem CID:

50238527

Reduced:

FN3O3C21H23 (2)

Stoich.:

AB3C3D21E23 (2)

Weight, g/mol:

628.300933

ΔHf, kcal/mol:

-284.79

Dipole, Da:

5.39

IP(EA), eV:

 -8.36(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-methoxyanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-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)NC4=C(C=C(C=C4)F)F)C)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations