Geometry & MOs

Info

ID:

106840

PubChem CID:

50178730

Reduced:

F2N6O6C39H44 (1)

Stoich.:

A2B6C6D39E44 (1)

Weight, g/mol:

694.347883

ΔHf, kcal/mol:

-293.2

Dipole, Da:

6.67

IP(EA), eV:

 -8.91(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations