Geometry & MOs

Info

ID:	144092
PubChem CID:	53310376
Reduced:	SO3N5H13C20 (1)
Stoich.:	AB3C5D13E20 (1)
Weight, g/mol:	211.052781
ΔH_f, kcal/mol:	38.83
Dipole, Da:	6.38
IP(EA), eV:	-9.37(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-aminoethyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=NN=C2N(C1=O)N=C(S2)C(C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations