Geometry & MOs

Info

ID:	211795
PubChem CID:	81054200
Reduced:	SBr2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	277.099731
ΔH_f, kcal/mol:	48.99
Dipole, Da:	3.26
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations