Geometry & MOs

Info

ID:

113930

PubChem CID:

50464971

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-195.54

Dipole, Da:

5.64

IP(EA), eV:

 -8.79(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations