Geometry & MOs

Info

ID:	25324
PubChem CID:	623028
Reduced:	SO2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	270.018702
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	7.02
IP(EA), eV:	-9.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethyl)-1H-[1,2,4]triazino[5,6-b]indole-3-thiol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C

DOS

IR

Vibrations