Geometry & MOs

Info

ID:

109699

PubChem CID:

50294687

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-237.41

Dipole, Da:

5.88

IP(EA), eV:

 -8.73(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)C)F

DOS

IR

Vibrations