Geometry & MOs

Info

ID:	132096
PubChem CID:	51304787
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	360.105625
ΔH_f, kcal/mol:	11.91
Dipole, Da:	7.09
IP(EA), eV:	-9.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCCCN3C=CN=C3

DOS

IR

Vibrations