Geometry & MOs

Info

ID:	45780
PubChem CID:	10517586
Reduced:	NOCl2S2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	25.24
Dipole, Da:	1.81
IP(EA), eV:	-9.17(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1H-indol-3-yl)-3-phenyl-2,6-dihydro-1H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC2=NC(=C(S2)C=O)Cl)Cl

DOS

IR

Vibrations