Geometry & MOs

Info

ID:

108900

PubChem CID:

50264242

Reduced:

FSO4N5C35H40 (1)

Stoich.:

ABC4D5E35F40 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-166.97

Dipole, Da:

11.49

IP(EA), eV:

 -8.37(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)SC

DOS

IR

Vibrations