Geometry & MOs

Info

ID:	278430
PubChem CID:	103835659
Reduced:	ClN2S2O3C12H15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	334.065714
ΔH_f, kcal/mol:	-83.68
Dipole, Da:	6.25
IP(EA), eV:	-9.08(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methyl-6-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=CC(=C(C=C1)C#N)Cl)(CSC)O

DOS

IR

Vibrations