Geometry & MOs

Info

ID:	283897
PubChem CID:	104018897
Reduced:	ClSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	314.024039
ΔH_f, kcal/mol:	1.13
Dipole, Da:	8.17
IP(EA), eV:	-10.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-5-(2-methoxypyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C2=NN=C(N2C3CC3)S(=O)(=O)Cl

DOS

IR

Vibrations