Geometry & MOs

Info

ID:	387704
PubChem CID:	134986509
Reduced:	NOS2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	277.059506
ΔH_f, kcal/mol:	3.7
Dipole, Da:	3.38
IP(EA), eV:	-8.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-methylsulfanyl-1-phenyl-2-pyridin-2-ylsulfanylethanol

Drug info:

PubChemData

Smile

CSC(C(=O)C1=CC=CC=N1)SC

DOS

IR

Vibrations