Geometry & MOs

Info

ID:

100168

PubChem CID:

50058937

Reduced:

FO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-142.91

Dipole, Da:

10.86

IP(EA), eV:

 -8.58(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-5-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations