Geometry & MOs

Info

ID:

109525

PubChem CID:

50286680

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

651.18565

ΔHf, kcal/mol:

-190.78

Dipole, Da:

11.78

IP(EA), eV:

 -8.94(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-methylanilino)-1-oxopropan-2-yl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C)C

DOS

IR

Vibrations