Geometry & MOs

Info

ID:	230982
PubChem CID:	87572374
Reduced:	SF2N2O5C25H28 (1)
Stoich.:	AB2C2D5E25F28 (1)
Weight, g/mol:	328.98336
ΔH_f, kcal/mol:	-261.18
Dipole, Da:	4.11
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)ethylthiourea;hydrobromide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)NCC1=CC(=C(C=C1)OCC2=CC=CC=C2F)CC3=CC(=CC=C3)F.CS(=O)(=O)O

DOS

IR

Vibrations