Geometry & MOs

Info

ID:

108636

PubChem CID:

50252283

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

782.36034

ΔHf, kcal/mol:

-228.65

Dipole, Da:

7.6

IP(EA), eV:

 -8.56(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations