Geometry & MOs

Info

ID:	283905
PubChem CID:	104019282
Reduced:	ClSO2N3C8H12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	362.94439
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	8.49
IP(EA), eV:	-10.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)Cl)C2CCC2

DOS

IR

Vibrations