Geometry & MOs

Info

ID:

120302

PubChem CID:

50721666

Reduced:

ClFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

722.275024

ΔHf, kcal/mol:

-181.45

Dipole, Da:

7.42

IP(EA), eV:

 -8.83(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-chloro-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)F

DOS

IR

Vibrations