Geometry & MOs

Info

ID:	31406
PubChem CID:	855679
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	318.078662
ΔH_f, kcal/mol:	-64.74
Dipole, Da:	6.17
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C(=O)N3CCCCC3

DOS

IR

Vibrations