Geometry & MOs

Info

ID:	279719
PubChem CID:	103844810
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	294.197714
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	3.83
IP(EA), eV:	-10.33(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dipropylsulfamoylamino)methyl]-3-(hydroxymethyl)pentane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations