Geometry & MOs

Info

ID:	429410
PubChem CID:	135169441
Reduced:	SN2O2C8H8 (1)
Stoich.:	AB2C2D8E8 (1)
Weight, g/mol:	364.98336
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	3.12
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-bromopyridin-4-yl)methoxy]-4-methoxy-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)O)SC(=N2)N

DOS

IR

Vibrations