Geometry & MOs

Info

ID:	401316
PubChem CID:	135050896
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	281.011511
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	7.45
IP(EA), eV:	-9.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azido-4-(4-methylphenyl)-2-methylsulfanyl-1,3-dithiole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/C=N/C(C)OC

DOS

IR

Vibrations