Geometry & MOs

Info

ID:	211854
PubChem CID:	81054469
Reduced:	ClFSN3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-5.55
Dipole, Da:	5.97
IP(EA), eV:	-8.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=C(C(=CC=C2)Cl)F

DOS

IR

Vibrations