Geometry & MOs

Info

ID:	46178
PubChem CID:	10522817
Reduced:	SSiO2C20H32 (1)
Stoich.:	ABC2D20E32 (1)
Weight, g/mol:	363.996779
ΔH_f, kcal/mol:	-152.9
Dipole, Da:	2.18
IP(EA), eV:	-8.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-pyrimidin-2-ylsulfanyl-2-(pyrimidin-2-ylsulfanylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1C(C2SC3=CC=CC=C3)O

DOS

IR

Vibrations