Geometry & MOs

Info

ID:	165970
PubChem CID:	74620504
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	430.912352
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	5.16
IP(EA), eV:	-9.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(2,5-dichlorothiophen-3-yl)-6H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N)OC)C

DOS

IR

Vibrations