Geometry & MOs

Info

ID:

97867

PubChem CID:

50036052

Reduced:

F2N5O5C34H39 (1)

Stoich.:

A2B5C5D34E39 (1)

Weight, g/mol:

718.365425

ΔHf, kcal/mol:

-260.0

Dipole, Da:

9.94

IP(EA), eV:

 -8.79(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations