Geometry & MOs

Info

ID:	169494
PubChem CID:	75110876
Reduced:	O7C18H30 (1)
Stoich.:	A7B18C30 (1)
Weight, g/mol:	504.085696
ΔH_f, kcal/mol:	-340.39
Dipole, Da:	6.1
IP(EA), eV:	-9.94(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-chloro-6,8-dihydroxy-1-oxoisochromen-3-yl)-4,6,8-trihydroxynon-2-en-5-yl]sulfanyl-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C(CCC(=O)O)CC=CCC=CC(CC(CCC(CC(=O)O)O)O)O

DOS

IR

Vibrations