Geometry & MOs

Info

ID:	221580
PubChem CID:	85280528
Reduced:	ClSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	246.091689
ΔH_f, kcal/mol:	-56.12
Dipole, Da:	3.21
IP(EA), eV:	-8.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-1-propyl-9aH-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CC=C(C(C)O)S(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations