Geometry & MOs

Info

ID:	165971
PubChem CID:	74620978
Reduced:	O2S2Cl3N3H8C15 (1)
Stoich.:	A2B2C3D3E8F15 (1)
Weight, g/mol:	441.972788
ΔH_f, kcal/mol:	52.25
Dipole, Da:	3.9
IP(EA), eV:	-9.59(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-6H-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C(N=N2)C3=C(SC(=C3)Cl)Cl)Cl

DOS

IR

Vibrations