Geometry & MOs

Info

ID:	278323
PubChem CID:	103834824
Reduced:	N3O3S3C11H15 (1)
Stoich.:	A3B3C3D11E15 (1)
Weight, g/mol:	334.065714
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	6.37
IP(EA), eV:	-8.9(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)S(=O)(=O)NCCSCCCO)N=S=N2

DOS

IR

Vibrations