Geometry & MOs

Info

ID:	202529
PubChem CID:	79682760
Reduced:	NS2O5C10H19 (1)
Stoich.:	AB2C5D10E19 (1)
Weight, g/mol:	178.102751
ΔH_f, kcal/mol:	-231.3
Dipole, Da:	6.14
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pentylsulfanylpropane-1,2-diol

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)CSCC(CO)O

DOS

IR

Vibrations