Geometry & MOs

Info

ID:	122394
PubChem CID:	50804661
Reduced:	FSO2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	425.095789
ΔH_f, kcal/mol:	2.03
Dipole, Da:	6.74
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[[7-(4-methoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN3C(=NN=C3SCC4=CC=C(C=C4)F)C2=O

DOS

IR

Vibrations