Geometry & MOs

Info

ID:

96895

PubChem CID:

50025601

Reduced:

F3O4N5C31H32 (1)

Stoich.:

A3B4C5D31E32 (1)

Weight, g/mol:

611.323833

ΔHf, kcal/mol:

-251.26

Dipole, Da:

7.65

IP(EA), eV:

 -8.94(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-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)NCC(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations