Geometry & MOs

Info

ID:	24585
PubChem CID:	611232
Reduced:	ClSO2N4C7H7 (1)
Stoich.:	ABC2D4E7F7 (1)
Weight, g/mol:	245.997824
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	10.44
IP(EA), eV:	-10.54(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)S(=O)(=O)Cl)C

DOS

IR

Vibrations