Geometry & MOs

Info

ID:

97373

PubChem CID:

50030818

Reduced:

O5N6C38H40 (1)

Stoich.:

A5B6C38D40 (1)

Weight, g/mol:

665.2013

ΔHf, kcal/mol:

-133.1

Dipole, Da:

10.74

IP(EA), eV:

 -8.45(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations