Geometry & MOs

Info

ID:	283931
PubChem CID:	104021650
Reduced:	SO3N4C9H16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	311.068825
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	2.79
IP(EA), eV:	-9.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)N)C2CCOC2C

DOS

IR

Vibrations