Geometry & MOs

Info

ID:

119019

PubChem CID:

50667438

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-226.27

Dipole, Da:

2.83

IP(EA), eV:

 -9.06(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl)C

DOS

IR

Vibrations