Geometry & MOs

Info

ID:	56560
PubChem CID:	17436306
Reduced:	FO2S2N3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	4.75
IP(EA), eV:	-8.94(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-(2-phenoxyethylamino)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C2=NC=NC3=C2SC(=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations