Geometry & MOs

Info

ID:	211831
PubChem CID:	81054366
Reduced:	SN4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	335.9932
ΔH_f, kcal/mol:	64.94
Dipole, Da:	4.92
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenoxy)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations