Geometry & MOs

Info

ID:

113085

PubChem CID:

50431037

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-274.78

Dipole, Da:

5.15

IP(EA), eV:

 -8.86(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4CCCC4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations