Geometry & MOs

Info

ID:

98456

PubChem CID:

50044344

Reduced:

F5N5O5C33H34 (1)

Stoich.:

A5B5C5D33E34 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-405.38

Dipole, Da:

4.15

IP(EA), eV:

 -9.23(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(3-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations