Geometry & MOs

Info

ID:	190243
PubChem CID:	77975934
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	640.342033
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	9.26
IP(EA), eV:	-6.58(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-(2-phenylethenyl)azetidine-1-sulfonic acid;tetrabutylazanium

Drug info:

PubChemData

Smile

CCC(C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O

DOS

IR

Vibrations