Geometry & MOs

Info

ID:

115286

PubChem CID:

50516837

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-170.9

Dipole, Da:

7.5

IP(EA), eV:

 -9.13(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCCC4)Cl)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations