Geometry & MOs

Info

ID:	283914
PubChem CID:	104020070
Reduced:	ClSO2N4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	293.096476
ΔH_f, kcal/mol:	13.23
Dipole, Da:	6.13
IP(EA), eV:	-9.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-5-pentyl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C3=NN=C(N3C)S(=O)(=O)Cl

DOS

IR

Vibrations