Geometry & MOs

Info

ID:	429442
PubChem CID:	135169491
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	339.024454
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	2.48
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=CC(=C1)COC2=CC3=C(C=C2)N=C(S3)NC4CCCCC4

DOS

IR

Vibrations