Geometry & MOs

Info

ID:

110298

PubChem CID:

50319557

Reduced:

O3N4C24H30 (1)

Stoich.:

A3B4C24D30 (1)

Weight, g/mol:

653.258039

ΔHf, kcal/mol:

-111.76

Dipole, Da:

6.09

IP(EA), eV:

 -8.77(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations