Geometry & MOs

Info

ID:

99372

PubChem CID:

50050355

Reduced:

F3N5O5H34C36 (1)

Stoich.:

A3B5C5D34E36 (1)

Weight, g/mol:

669.228488

ΔHf, kcal/mol:

-259.23

Dipole, Da:

11.48

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations