Geometry & MOs

Info

ID:	217917
PubChem CID:	85088579
Reduced:	NSiO3C24H33 (1)
Stoich.:	ABC3D24E33 (1)
Weight, g/mol:	412.07927
ΔH_f, kcal/mol:	-146.49
Dipole, Da:	1.58
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diethoxyphosphinothioylsulfanyl-6-methyl-4-(1-phenylethylideneamino)-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C(=CCCCC(=O)O)C2=CN=CC=C2

DOS

IR

Vibrations