Geometry & MOs

Info

ID:

114147

PubChem CID:

50473388

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-198.01

Dipole, Da:

7.37

IP(EA), eV:

 -8.68(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5)C)F

DOS

IR

Vibrations