Geometry & MOs

Info

ID:

113674

PubChem CID:

50454368

Reduced:

F3N6O6C42H43 (1)

Stoich.:

A3B6C6D42E43 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-308.03

Dipole, Da:

8.35

IP(EA), eV:

 -8.4(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations