Geometry & MOs

Info

ID:

109494

PubChem CID:

50286427

Reduced:

F2N6O6C43H46 (1)

Stoich.:

A2B6C6D43E46 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-274.12

Dipole, Da:

10.32

IP(EA), eV:

 -8.7(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=C(C=C6)F)OC)C)F

DOS

IR

Vibrations