Geometry & MOs

Info

ID:

99302

PubChem CID:

50049749

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-219.28

Dipole, Da:

10.27

IP(EA), eV:

 -8.81(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations