Geometry & MOs

Info

ID:	402270
PubChem CID:	135055278
Reduced:	PC11O12H21 (1)
Stoich.:	AB11C12D21 (1)
Weight, g/mol:	178.02998
ΔH_f, kcal/mol:	-600.35
Dipole, Da:	3.59
IP(EA), eV:	-10.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[(2S)-2-hydroxy-3-oxopropyl]sulfanylpropanal

Drug info:

PubChemData

Smile

C([C@H]1[C@H](C(C([C@H](O1)CO)O)O)O)C(C(C(=O)COP(=O)(O)O)O)O

DOS

IR

Vibrations