Geometry & MOs

Info

ID:	127240
PubChem CID:	50996042
Reduced:	FN4O6C28H33 (1)
Stoich.:	AB4C6D28E33 (1)
Weight, g/mol:	410.073199
ΔH_f, kcal/mol:	-239.52
Dipole, Da:	9.15
IP(EA), eV:	-9.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-6-(1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=C(C2=NC=CC(=C2N1)C3=C(C(=CC(=C3)OC)F)OCC4CC4)C(=O)N[C@H]5CCN(C[C@@H]5O)C(=O)[C@H](C)O

DOS

IR

Vibrations