Geometry & MOs

Info

ID:	225825
PubChem CID:	87226485
Reduced:	NSC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	241.058637
ΔH_f, kcal/mol:	46.86
Dipole, Da:	4.28
IP(EA), eV:	-9.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylpent-4-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1.C(=N)=S

DOS

IR

Vibrations