Geometry & MOs

Info

ID:	7159
PubChem CID:	71423
Reduced:	ClSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	359.049526
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	1.78
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1SC2=CC=C(C=C2)Cl)C)N3C(=O)NC(=O)C=N3

DOS

IR

Vibrations