Geometry & MOs

Info

ID:	392099
PubChem CID:	135012882
Reduced:	ClNSO4H14C16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-54.34
Dipole, Da:	2.79
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-phenylpent-4-enoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)O[C@H](C1=CC=CC=C1Cl)[C@H]([N+](=O)[O-])SC2=CC=CC=C2

DOS

IR

Vibrations