Geometry & MOs

Info

ID:	429505
PubChem CID:	135169554
Reduced:	SO3N7C23H27 (1)
Stoich.:	AB3C7D23E27 (1)
Weight, g/mol:	383.116444
ΔH_f, kcal/mol:	-2.75
Dipole, Da:	3.38
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=CC(=N2)COC3=CC(=C4C(=C3)SC(=N4)NC5CCCC[C@@H]5O)OC

DOS

IR

Vibrations