Geometry & MOs

Info

ID:	386649
PubChem CID:	134982433
Reduced:	SC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	447.187081
ΔH_f, kcal/mol:	76.92
Dipole, Da:	1.86
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=CCC=C=CSC1=CC=CC=C1

DOS

IR

Vibrations