Geometry & MOs

Info

ID:	429538
PubChem CID:	135169587
Reduced:	ClSO3N5C20H24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	351.055674
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	5.03
IP(EA), eV:	-8.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-aminopyrimidin-4-yl)methoxy]-7-chloro-4-methoxy-N-methyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C[C@]1(CCCCC1NC2=NC3=C(S2)C(=C(C=C3OC)OCC4=NC(=NC=C4)N)Cl)O

DOS

IR

Vibrations