Geometry & MOs

Info

ID:	122431
PubChem CID:	50806370
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	364.099397
ΔH_f, kcal/mol:	29.99
Dipole, Da:	6.21
IP(EA), eV:	-8.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=C3N2C=CN(C3=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations