Geometry & MOs

Info

ID:

109484

PubChem CID:

50286294

Reduced:

FO5N6C41H53 (1)

Stoich.:

AB5C6D41E53 (1)

Weight, g/mol:

782.36034

ΔHf, kcal/mol:

-249.33

Dipole, Da:

6.91

IP(EA), eV:

 -8.72(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)C

DOS

IR

Vibrations