Geometry & MOs

Info

ID:	43094
PubChem CID:	10318451
Reduced:	BrFN3H13C20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	393.010553
ΔH_f, kcal/mol:	70.23
Dipole, Da:	4.79
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorophenyl)methyl]-N-(6-methoxypyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations