Geometry & MOs

Info

ID:	233121
PubChem CID:	87692432
Reduced:	N3O6C20H21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	318.999329
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	2.14
IP(EA), eV:	-8.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-oxoethyl)-N-thiophen-3-ylsulfonyl-4,5-dihydrotriazol-1-ium-1-carbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)OC3=CC=CC=C3)OOC

DOS

IR

Vibrations