Geometry & MOs

Info

ID:

103385

PubChem CID:

50071497

Reduced:

FN6O6C42H47 (1)

Stoich.:

AB6C6D42E47 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-243.92

Dipole, Da:

5.81

IP(EA), eV:

 -8.46(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations