Geometry & MOs

Info

ID:	122427
PubChem CID:	50806233
Reduced:	ClSO3N4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	422.104876
ΔH_f, kcal/mol:	-0.59
Dipole, Da:	7.47
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C=CN3C(=NN=C3SCC(=O)C4=CC=C(C=C4)OC)C2=O

DOS

IR

Vibrations