Geometry & MOs

Info

ID:

118184

PubChem CID:

50632274

Reduced:

Cl2O5N6H38C39 (1)

Stoich.:

A2B5C6D38E39 (1)

Weight, g/mol:

692.228074

ΔHf, kcal/mol:

-132.94

Dipole, Da:

6.7

IP(EA), eV:

 -8.84(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-chloro-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6)Cl

DOS

IR

Vibrations