Geometry & MOs

Info

ID:	307642
PubChem CID:	125307886
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	88.51
Dipole, Da:	7.0
IP(EA), eV:	-8.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-oxo-6H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=N\N2C=NC3=C4C=CC(=C[C@H]4N=C3C2=O)OC

DOS

IR

Vibrations