Geometry & MOs

Info

ID:

95969

PubChem CID:

50017583

Reduced:

F2N6O6C43H48 (1)

Stoich.:

A2B6C6D43E48 (1)

Weight, g/mol:

718.365425

ΔHf, kcal/mol:

-283.63

Dipole, Da:

8.86

IP(EA), eV:

 -8.78(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F

DOS

IR

Vibrations