Geometry & MOs

Info

ID:	166326
PubChem CID:	74670764
Reduced:	SN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	431.934295
ΔH_f, kcal/mol:	-65.99
Dipole, Da:	6.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756246
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-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C[NH+](CC1=NC2=CC=CC=C2S1)C3CC(=O)N(C3=O)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations