Geometry & MOs

Info

ID:	226475
PubChem CID:	87457457
Reduced:	PC5O7H14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	721.077654
ΔH_f, kcal/mol:	-325.78
Dipole, Da:	9.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756436
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-hydroxyethyl]-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C(O)[P+](CO)(CO)CO.C(=O)(O)O

DOS

IR

Vibrations