Geometry & MOs

Info

ID:

117876

PubChem CID:

50618607

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-179.59

Dipole, Da:

5.32

IP(EA), eV:

 -8.58(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)C

DOS

IR

Vibrations