Geometry & MOs

Info

ID:

114744

PubChem CID:

50495169

Reduced:

FN4O4C31H35 (1)

Stoich.:

AB4C4D31E35 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-166.43

Dipole, Da:

5.88

IP(EA), eV:

 -8.27(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations