Geometry & MOs

Info

ID:

101144

PubChem CID:

50064402

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

651.18565

ΔHf, kcal/mol:

-185.55

Dipole, Da:

8.57

IP(EA), eV:

 -8.5(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations