Geometry & MOs

Info

ID:

102405

PubChem CID:

50066972

Reduced:

F3N6O6C41H41 (1)

Stoich.:

A3B6C6D41E41 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-300.84

Dipole, Da:

4.7

IP(EA), eV:

 -9.0(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)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(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations