Geometry & MOs

Info

ID:	211855
PubChem CID:	81054504
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	2.78
IP(EA), eV:	-8.74(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)OCC2CCCO2

DOS

IR

Vibrations