Geometry & MOs

Info

ID:	300570
PubChem CID:	121360574
Reduced:	SO4C16H16 (2)
Stoich.:	AB4C16D16 (2)
Weight, g/mol:	688.110675
ΔH_f, kcal/mol:	-251.48
Dipole, Da:	5.16
IP(EA), eV:	-8.1(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C3=C(C4=C(C=C3)C=C(C=C4)O)OC2=C(C1=C)CCCC)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations