Geometry & MOs

Info

ID:	23439
PubChem CID:	603531
Reduced:	SH8C12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	184.034671
ΔH_f, kcal/mol:	98.79
Dipole, Da:	2.99
IP(EA), eV:	-7.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azuleno[2,1-b]thiophene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=C2C=C1)C=CS3

DOS

IR

Vibrations