Geometry & MOs

Info

ID:	189670
PubChem CID:	77887254
Reduced:	O3C20H32 (1)
Stoich.:	A3B20C32 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-167.02
Dipole, Da:	2.38
IP(EA), eV:	-9.7(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCC1C(OC(O1)(C)C)CC(C2=CC=CC=C2)O

DOS

IR

Vibrations