Geometry & MOs

Info

ID:

92190

PubChem CID:

49984027

Reduced:

O5N6C33H42 (1)

Stoich.:

A5B6C33D42 (1)

Weight, g/mol:

684.399919

ΔHf, kcal/mol:

-201.76

Dipole, Da:

8.38

IP(EA), eV:

 -9.03(-0.42)

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-[4-(3-methylpiperidine-1-carbonyl)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=C(C=C5)C(=O)N

DOS

IR

Vibrations