Geometry & MOs

Info

ID:

91158

PubChem CID:

49973715

Reduced:

ClN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-217.21

Dipole, Da:

8.69

IP(EA), eV:

 -8.86(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations