Geometry & MOs

Info

ID:

109435

PubChem CID:

50284192

Reduced:

F3O5N6C42H45 (1)

Stoich.:

A3B5C6D42E45 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-298.6

Dipole, Da:

3.44

IP(EA), eV:

 -8.71(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)CC5=CC=C(C=C5)F)C)F

DOS

IR

Vibrations