Geometry & MOs

Info

ID:	311916
PubChem CID:	126599392
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	298.108624
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	7.82
IP(EA), eV:	-9.46(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-hydroxy-2-methyl-5-(sulfanylmethyl)oxolan-3-yl]oxymethoxy]butane-1,2,3-triol

Drug info:

PubChemData

Smile

CC(=O)N1CCC1CC(=O)N2CCC(C2)CC(=O)N3CCCCC3

DOS

IR

Vibrations