Geometry & MOs

Info

ID:	300569
PubChem CID:	121360564
Reduced:	ClO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	608.15386
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	5.55
IP(EA), eV:	-9.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9,11-dibutyl-3-hydroxy-10-methylidenebenzo[c]xanthen-7-yl)benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC/C(=C\C=C(/C)\C(=O)CCl)/CC(=O)OC

DOS

IR

Vibrations