Geometry & MOs

Info

ID:	278597
PubChem CID:	103836621
Reduced:	SN2O5C12H18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	281.129694
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	3.97
IP(EA), eV:	-10.35(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations