Geometry & MOs

Info

ID:	228761
PubChem CID:	87565692
Reduced:	FSN2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	709.077597
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	4.23
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN=CO4)/C3)S

DOS

IR

Vibrations