Geometry & MOs

Info

ID:

113364

PubChem CID:

50441333

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-276.93

Dipole, Da:

2.9

IP(EA), eV:

 -8.63(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)C)OC

DOS

IR

Vibrations