Geometry & MOs

Info

ID:	134550
PubChem CID:	51713818
Reduced:	ClNSO5H16C21 (1)
Stoich.:	ABCD5E16F21 (1)
Weight, g/mol:	303.091572
ΔH_f, kcal/mol:	-116.26
Dipole, Da:	4.37
IP(EA), eV:	-9.83(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(2-acetamidophenyl)-3-propylsulfanyl-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)Cl

DOS

IR

Vibrations