Geometry & MOs

Info

ID:	282797
PubChem CID:	103939471
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	18.97
Dipole, Da:	2.82
IP(EA), eV:	-8.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)SC2=CC3=CC=CC=C3N2)O

DOS

IR

Vibrations