Geometry & MOs

Info

ID:

105602

PubChem CID:

50130551

Reduced:

FO5N6C43H49 (1)

Stoich.:

AB5C6D43E49 (1)

Weight, g/mol:

764.369761

ΔHf, kcal/mol:

-217.72

Dipole, Da:

12.4

IP(EA), eV:

 -8.61(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)C)F)C

DOS

IR

Vibrations