Geometry & MOs

Info

ID:	278480
PubChem CID:	103836172
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	253.098394
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	6.26
IP(EA), eV:	-10.24(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NC(CCO)C(C)C

DOS

IR

Vibrations