Geometry & MOs

Info

ID:	225776
PubChem CID:	87226042
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	411.12169
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	4.25
IP(EA), eV:	-9.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-4,6-difluoro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)C2=CC=CC=C2Br)OC=O

DOS

IR

Vibrations