Geometry & MOs

Info

ID:

113653

PubChem CID:

50453945

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-236.57

Dipole, Da:

4.97

IP(EA), eV:

 -8.27(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[3-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations