Geometry & MOs

Info

ID:

100373

PubChem CID:

50060598

Reduced:

F2N6O6C33H36 (1)

Stoich.:

A2B6C6D33E36 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-286.24

Dipole, Da:

9.76

IP(EA), eV:

 -8.69(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations