Geometry & MOs

Info

ID:	29353
PubChem CID:	833259
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	3.89
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)NN=C(C(=O)C)C(=O)N

DOS

IR

Vibrations