Geometry & MOs

Info

ID:	282795
PubChem CID:	103939461
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	227.098
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	4.16
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(3-hydroxypropylsulfanyl)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)SC(C)CCO)O

DOS

IR

Vibrations