Geometry & MOs

Info

ID:	276963
PubChem CID:	103826003
Reduced:	NS2O3C8H13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	5.35
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxybutan-2-ylsulfanylmethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCN1C=CSC1=O

DOS

IR

Vibrations