Geometry & MOs

Info

ID:	399718
PubChem CID:	135042041
Reduced:	SO3H12C15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	198.140851
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	3.37
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butyl-8-prop-1-en-2-ylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene

Drug info:

PubChemData

Smile

C1COC(=O)[C@]1(C2=CSC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations