Geometry & MOs

Info

ID:	343492
PubChem CID:	127266665
Reduced:	NSO4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	330.124943
ΔH_f, kcal/mol:	-169.93
Dipole, Da:	5.13
IP(EA), eV:	-9.63(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CCCO)CNS(=O)(=O)C1=CC=CC=C1O

DOS

IR

Vibrations