Geometry & MOs

Info

ID:	338368
PubChem CID:	127259060
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-65.57
Dipole, Da:	4.06
IP(EA), eV:	-8.77(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxoisoindol-1-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCSC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]

DOS

IR

Vibrations