Geometry & MOs

Info

ID:	274149
PubChem CID:	103807346
Reduced:	BrFN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	277.052112
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	4.5
IP(EA), eV:	-8.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)N)NC(=O)C3=CC(=C(C=C3)F)Br

DOS

IR

Vibrations