Geometry & MOs

Info

ID:	48128
PubChem CID:	10537341
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	228.039105
ΔH_f, kcal/mol:	-18.86
Dipole, Da:	0.62
IP(EA), eV:	-8.53(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCCCC1C=C(C=CO1)CC2=CC=CC=C2

DOS

IR

Vibrations