Geometry & MOs

Info

ID:	337031
PubChem CID:	127256596
Reduced:	NOSC16H17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	2.19
Dipole, Da:	3.23
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoindol-2-ylpropanoyl 3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CCC(CC1)SC(=O)N2C=C3C=CC=CC3=C2

DOS

IR

Vibrations