Geometry & MOs

Info

ID:	284991
PubChem CID:	104088301
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	4.19
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-2-nitrophenyl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)N)SC(C)CO

DOS

IR

Vibrations