Geometry & MOs

Info

ID:	445736
PubChem CID:	135269215
Reduced:	N4O4C17H30 (1)
Stoich.:	A4B4C17D30 (1)
Weight, g/mol:	565.079838
ΔH_f, kcal/mol:	-182.69
Dipole, Da:	3.18
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)methyl]-2-hydroxy-3-methyl-1-(1,3-thiazol-5-ylmethyl)-8-[3-(trifluoromethoxy)phenoxy]-2H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)CCN1C2=C(N=C1OC(C)C)N(C(N(C2=O)CCCO)O)C

DOS

IR

Vibrations