Geometry & MOs

Info

ID:	28644
PubChem CID:	828747
Reduced:	SO2N4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	242.047361
ΔH_f, kcal/mol:	-23.19
Dipole, Da:	4.65
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)N

DOS

IR

Vibrations