Geometry & MOs

Info

ID:	190103
PubChem CID:	77954491
Reduced:	SO2N6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	508.178041
ΔH_f, kcal/mol:	8.75
Dipole, Da:	5.9
IP(EA), eV:	-8.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenoxy)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NC2=CC=CC=C2)NC3CC(CC3O)CO)C4=NC5=C(S4)C=CN=C5

DOS

IR

Vibrations