Geometry & MOs

Info

ID:	282796
PubChem CID:	103939463
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	4.12
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(1H-indol-2-ylsulfanyl)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations