Geometry & MOs

Info

ID:

97254

PubChem CID:

50029195

Reduced:

F5N5O5C32H32 (1)

Stoich.:

A5B5C5D32E32 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-408.79

Dipole, Da:

6.91

IP(EA), eV:

 -9.0(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-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(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations