Geometry & MOs

Info

ID:

112300

PubChem CID:

50400822

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-278.11

Dipole, Da:

5.83

IP(EA), eV:

 -8.8(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC=C4F)F)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations