Geometry & MOs

Info

ID:	228733
PubChem CID:	87565639
Reduced:	FON2S2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	589.074225
ΔH_f, kcal/mol:	9.83
Dipole, Da:	2.5
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[2,5-dioxo-3-(quinolin-4-ylmethyl)-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-yl]ethyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CSC=N4)/C3)S

DOS

IR

Vibrations