Geometry & MOs

Info

ID:

92153

PubChem CID:

49983470

Reduced:

F2O5N6C39H44 (1)

Stoich.:

A2B5C6D39E44 (1)

Weight, g/mol:

660.363533

ΔHf, kcal/mol:

-256.77

Dipole, Da:

10.98

IP(EA), eV:

 -8.79(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methoxy-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations