Geometry & MOs

Info

ID:

119992

PubChem CID:

50710385

Reduced:

Cl2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

615.261232

ΔHf, kcal/mol:

-163.21

Dipole, Da:

9.52

IP(EA), eV:

 -9.31(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,6-dimethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations