Geometry & MOs

Info

ID:

108885

PubChem CID:

50263007

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-144.8

Dipole, Da:

9.31

IP(EA), eV:

 -8.7(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations