Geometry & MOs

Info

ID:	57230
PubChem CID:	22395513
Reduced:	SO4C22H38 (1)
Stoich.:	AB4C22D38 (1)
Weight, g/mol:	744.46436
ΔH_f, kcal/mol:	-233.87
Dipole, Da:	3.8
IP(EA), eV:	-9.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihexadecylthianthrene-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)S(=O)(=O)O

DOS

IR

Vibrations