Geometry & MOs

Info

ID:	228124
PubChem CID:	87563495
Reduced:	PSC3O5H11 (1)
Stoich.:	ABC3D5E11 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-299.57
Dipole, Da:	5.96
IP(EA), eV:	-11.09(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-4-(4-butoxyphenyl)but-3-en-2-yl]-2-propan-2-ylpropanedioic acid

Drug info:

PubChemData

Smile

CP(=O)(O)O.CS(=O)(=O)C

DOS

IR

Vibrations