Geometry & MOs

Info

ID:

112814

PubChem CID:

50421244

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

613.22637

ΔHf, kcal/mol:

-208.97

Dipole, Da:

8.09

IP(EA), eV:

 -8.94(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-bromoanilino)-3-oxopropyl]-1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations