Geometry & MOs

Info

ID:

106654

PubChem CID:

50171549

Reduced:

N5O5C34H45 (1)

Stoich.:

A5B5C34D45 (1)

Weight, g/mol:

595.297011

ΔHf, kcal/mol:

-205.91

Dipole, Da:

6.37

IP(EA), eV:

 -8.79(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,5-difluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NCC5=CC=C(C=C5)OC

DOS

IR

Vibrations