Geometry & MOs

Info

ID:

114480

PubChem CID:

50484423

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

782.36034

ΔHf, kcal/mol:

-236.64

Dipole, Da:

7.4

IP(EA), eV:

 -8.97(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations