Geometry & MOs

Info

ID:	283907
PubChem CID:	104019483
Reduced:	ClSO2F3N3C6H7 (1)
Stoich.:	ABC2D3E3F6G7 (1)
Weight, g/mol:	330.018954
ΔH_f, kcal/mol:	-201.84
Dipole, Da:	6.48
IP(EA), eV:	-11.24(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-(3-methyl-2-nitrophenyl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)Cl)CC(F)(F)F

DOS

IR

Vibrations