Geometry & MOs

Info

ID:

98369

PubChem CID:

50043189

Reduced:

F2O4N5H35C36 (1)

Stoich.:

A2B4C5D35E36 (1)

Weight, g/mol:

621.276276

ΔHf, kcal/mol:

-187.1

Dipole, Da:

8.88

IP(EA), eV:

 -8.73(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(4-ethoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations