Geometry & MOs

Info

ID:	172220
PubChem CID:	75481505
Reduced:	ClFON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	180.971275
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	1.91
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyltriazole-4-sulfonyl chloride

Drug info:

PubChemData

Smile

C1CC1(C(=O)NC2=CC=C(C=C2)F)N.Cl

DOS

IR

Vibrations