Geometry & MOs

Info

ID:

96220

PubChem CID:

50019438

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

627.246867

ΔHf, kcal/mol:

-255.97

Dipole, Da:

7.39

IP(EA), eV:

 -9.01(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations