Geometry & MOs

Info

ID:

111219

PubChem CID:

50358485

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

638.321668

ΔHf, kcal/mol:

-220.82

Dipole, Da:

8.43

IP(EA), eV:

 -8.61(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations