Geometry & MOs

Info

ID:

96868

PubChem CID:

50025407

Reduced:

ClO5N6C36H51 (1)

Stoich.:

AB5C6D36E51 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-244.41

Dipole, Da:

7.65

IP(EA), eV:

 -9.1(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(propylcarbamoyl)phenyl]-1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations