Geometry & MOs

Info

ID:

184351

PubChem CID:

77150350

Reduced:

ClN4O6C36H43 (1)

Stoich.:

AB4C6D36E43 (1)

Weight, g/mol:

486.310515

ΔHf, kcal/mol:

-205.1

Dipole, Da:

6.53

IP(EA), eV:

 -9.03(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[1-[2-fluoro-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43)Cl)(N5CCCC5)OC6CCC(CC6)C(=O)O

DOS

IR

Vibrations