Geometry & MOs

Info

ID:	167634
PubChem CID:	74850573
Reduced:	S2O3N7C20H25 (1)
Stoich.:	A2B3C7D20E25 (1)
Weight, g/mol:	513.910635
ΔH_f, kcal/mol:	-34.14
Dipole, Da:	6.68
IP(EA), eV:	-8.94(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)OCC1=NC(=NC(=N1)N(C)C)N)SCC2=NC(=O)C3C4=C(CCCC4)SC3=N2

DOS

IR

Vibrations