Geometry & MOs

Info

ID:

108719

PubChem CID:

50255938

Reduced:

ClO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

598.290368

ΔHf, kcal/mol:

-139.27

Dipole, Da:

5.46

IP(EA), eV:

 -8.8(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations