Geometry & MOs

Info

ID:

98348

PubChem CID:

50042987

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

734.340353

ΔHf, kcal/mol:

-315.38

Dipole, Da:

13.23

IP(EA), eV:

 -8.79(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]-1-[1-[5-[(2,6-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=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations