Geometry & MOs

Info

ID:	317283
PubChem CID:	126635380
Reduced:	ClO2S2N3C15H20 (1)
Stoich.:	AB2C2D3E15F20 (1)
Weight, g/mol:	231.97087
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	7.82
IP(EA), eV:	-8.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-(iodoamino)propane-1,3-diol

Drug info:

PubChemData

Smile

C/C(=C(\NC(=S)C1=CC(=CN=C1)OC)/Cl)/N(C)C(=O)CCSC

DOS

IR

Vibrations