Geometry & MOs

Info

ID:

109542

PubChem CID:

50287392

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

657.332648

ΔHf, kcal/mol:

-227.53

Dipole, Da:

10.78

IP(EA), eV:

 -8.98(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-1-[1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations