Geometry & MOs

Info

ID:	298657
PubChem CID:	117653637
Reduced:	N2F3O4H25C26 (1)
Stoich.:	A2B3C4D25E26 (1)
Weight, g/mol:	314.108044
ΔH_f, kcal/mol:	-271.72
Dipole, Da:	7.27
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2S)-2-propan-2-ylpiperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1C)CN2CCC3=CC=CC=C3C2)C(=O)O)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

DOS

IR

Vibrations