Geometry & MOs

Info

ID:	199444
PubChem CID:	79246881
Reduced:	OSN3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	335.059422
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	3.73
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C1=NSC(=N1)N[C@H](CO)C(C)C

DOS

IR

Vibrations