Geometry & MOs

Info

ID:	401349
PubChem CID:	135051032
Reduced:	NS2O4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	212.991821
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	4.12
IP(EA), eV:	-8.91(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(sulfinylamino)-2-(sulfinylmethyl)benzene

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC=C1)C(=S)SC)[N+](=O)[O-]

DOS

IR

Vibrations