Geometry & MOs

Info

ID:

118434

PubChem CID:

50643360

Reduced:

Cl2O5N6C37H48 (1)

Stoich.:

A2B5C6D37E48 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-230.82

Dipole, Da:

8.95

IP(EA), eV:

 -8.9(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-chloro-3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NCC(C)C)Cl)Cl

DOS

IR

Vibrations