Geometry & MOs

Info

ID:	270084
PubChem CID:	103626450
Reduced:	BrSN2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-136.75
Dipole, Da:	8.17
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CN1CCCC1CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

DOS

IR

Vibrations