Geometry & MOs

Info

ID:

111815

PubChem CID:

50382049

Reduced:

N5O6C35H45 (1)

Stoich.:

A5B6C35D45 (1)

Weight, g/mol:

669.2326

ΔHf, kcal/mol:

-236.12

Dipole, Da:

9.2

IP(EA), eV:

 -8.57(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-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)N3CCCC3C(=O)NC4=CC5=C(C=C4)OCCO5)C(=O)NC6CCCC6

DOS

IR

Vibrations