Geometry & MOs

Info

ID:	283908
PubChem CID:	104019540
Reduced:	ClSN4O4C11H11 (1)
Stoich.:	ABC4D4E11F11 (1)
Weight, g/mol:	321.127776
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	10.96
IP(EA), eV:	-10.7(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propyl-5-(2,4,4-trimethylpentyl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)Cl)C2=CC=CC(=C2[N+](=O)[O-])C

DOS

IR

Vibrations