Geometry & MOs

Info

ID:	283917
PubChem CID:	104020344
Reduced:	BrClFSO2N3C12H12 (1)
Stoich.:	ABCDE2F3G12H12 (1)
Weight, g/mol:	289.040024
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	8.02
IP(EA), eV:	-9.36(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1S(=O)(=O)Cl)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations