Geometry & MOs

Info

ID:	386789
PubChem CID:	134982943
Reduced:	SO3C22H28 (1)
Stoich.:	AB3C22D28 (1)
Weight, g/mol:	240.001178
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	2.91
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-methylsulfonylazulene

Drug info:

PubChemData

Smile

CC1(C(C2=CC(=C(C(=C2C1(C)C)OC)OC)OC)SC3=CC=CC=C3)C

DOS

IR

Vibrations