Geometry & MOs

Info

ID:

95833

PubChem CID:

50015564

Reduced:

F2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-251.83

Dipole, Da:

6.33

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations