Geometry & MOs

Info

ID:

100413

PubChem CID:

50061151

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

744.288317

ΔHf, kcal/mol:

-238.68

Dipole, Da:

9.65

IP(EA), eV:

 -8.22(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C(C)C)C

DOS

IR

Vibrations