Geometry & MOs

Info

ID:	122400
PubChem CID:	50804982
Reduced:	OSN4H20C22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	405.125946
ΔH_f, kcal/mol:	83.51
Dipole, Da:	7.37
IP(EA), eV:	-8.82(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CN3C(=NN=C3SCC4=CC=C(C=C4)C=C)C2=O)C

DOS

IR

Vibrations