Geometry & MOs

Info

ID:	283937
PubChem CID:	104021713
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	312.089226
ΔH_f, kcal/mol:	-26.89
Dipole, Da:	4.0
IP(EA), eV:	-9.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)N)CCC2=CC=CC=C2C

DOS

IR

Vibrations