Geometry & MOs

Info

ID:

98914

PubChem CID:

50047309

Reduced:

FN6O6C42H53 (1)

Stoich.:

AB6C6D42E53 (1)

Weight, g/mol:

673.15115

ΔHf, kcal/mol:

-289.73

Dipole, Da:

10.36

IP(EA), eV:

 -8.39(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations