Geometry & MOs

Info

ID:

99861

PubChem CID:

50055703

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-253.83

Dipole, Da:

8.52

IP(EA), eV:

 -8.91(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations