Geometry & MOs

Info

ID:

96284

PubChem CID:

50019598

Reduced:

F3O4N5C30H38 (1)

Stoich.:

A3B4C5D30E38 (1)

Weight, g/mol:

539.290783

ΔHf, kcal/mol:

-312.64

Dipole, Da:

7.21

IP(EA), eV:

 -9.04(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations