Geometry & MOs

Info

ID:	202537
PubChem CID:	79682768
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	194.097666
ΔH_f, kcal/mol:	-158.35
Dipole, Da:	3.71
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxypentylsulfanyl)propane-1,2-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSCC(CO)O

DOS

IR

Vibrations