Geometry & MOs

Info

ID:	281408
PubChem CID:	103913826
Reduced:	SO2N4C10H18 (1)
Stoich.:	AB2C4D10E18 (1)
Weight, g/mol:	246.115047
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	6.82
IP(EA), eV:	-9.65(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpropan-2-amine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC2CCCS(=O)(=O)C2

DOS

IR

Vibrations