Geometry & MOs

Info

ID:	195
PubChem CID:	2275
Reduced:	SO3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	278.097666
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	7.03
IP(EA), eV:	-8.58(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8-dimethyl-5-propan-2-ylazulene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)O

DOS

IR

Vibrations