Geometry & MOs

Info

ID:

233398

PubChem CID:

89855738

Reduced:

ClO5C23H27 (1)

Stoich.:

AB5C23D27 (1)

Weight, g/mol:

524.126276

ΔHf, kcal/mol:

-177.19

Dipole, Da:

5.05

IP(EA), eV:

 -9.1(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[(3-carbamoylphenyl)carbamoyl]phenyl]-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)C4CC4)O)O)O

DOS

IR

Vibrations