Geometry & MOs

Info

ID:	29500
PubChem CID:	834495
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	348.069927
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	3.71
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(2-ethoxy-3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)CN[C@H](C)[C@H](C2=CC=CC=C2)O)OC

DOS

IR

Vibrations