Geometry & MOs

Info

ID:	146736
PubChem CID:	53740553
Reduced:	SO2C33H66 (1)
Stoich.:	AB2C33D66 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	-229.54
Dipole, Da:	2.51
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,3,5-tetrahydroxyindolizin-6-yl)hex-3-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)SOC(=O)CC

DOS

IR

Vibrations