Geometry & MOs

Info

ID:

111800

PubChem CID:

50381614

Reduced:

FN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-275.35

Dipole, Da:

8.53

IP(EA), eV:

 -9.12(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-1-[1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C(=O)N5CCOCC5

DOS

IR

Vibrations