Geometry & MOs

Info

ID:	401466
PubChem CID:	135051352
Reduced:	OH16C21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	305.978729
ΔH_f, kcal/mol:	51.73
Dipole, Da:	3.3
IP(EA), eV:	-8.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-3-phenyl-1lambda4,2-dithiacyclopenta-3,5-dien-1-yl) perchlorate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(O2)C4=CC=CC=C4

DOS

IR

Vibrations