Geometry & MOs

Info

ID:

114849

PubChem CID:

50499037

Reduced:

ClN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-221.33

Dipole, Da:

4.17

IP(EA), eV:

 -8.81(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(3-chlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations