Geometry & MOs

Info

ID:

107959

PubChem CID:

50225279

Reduced:

F2N4O5C31H34 (1)

Stoich.:

A2B4C5D31E34 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-231.67

Dipole, Da:

8.25

IP(EA), eV:

 -8.93(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations