Geometry & MOs

Info

ID:	283906
PubChem CID:	104019481
Reduced:	BrClSO2N3C11H11 (1)
Stoich.:	ABCD2E3F11G11 (1)
Weight, g/mol:	276.98996
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	10.15
IP(EA), eV:	-9.18(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)Cl)C2=C(C=CC(=C2)C)Br

DOS

IR

Vibrations