Geometry & MOs

Info

ID:	283913
PubChem CID:	104020044
Reduced:	ClSF2O2N3H6C9 (1)
Stoich.:	ABC2D2E3F6G9 (1)
Weight, g/mol:	322.029125
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	7.82
IP(EA), eV:	-10.71(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(2-methylquinolin-4-yl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CN1C(=NN=C1S(=O)(=O)Cl)C2=C(C(=CC=C2)F)F

DOS

IR

Vibrations