Geometry & MOs

Info

ID:	189440
PubChem CID:	77856017
Reduced:	NSO5C10H11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-154.33
Dipole, Da:	5.59
IP(EA), eV:	-10.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-methoxy-6-methylsulfanylphenyl)ethenyl]diazinan-3-one

Drug info:

PubChemData

Smile

C1C(OCO1)C=C2C3N(C2=O)C(CS3)C(=O)O

DOS

IR

Vibrations