Geometry & MOs

Info

ID:

105938

PubChem CID:

50143411

Reduced:

F3O3N4C26H31 (1)

Stoich.:

A3B3C4D26E31 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-268.72

Dipole, Da:

9.07

IP(EA), eV:

 -9.13(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations