Geometry & MOs

Info

ID:	77896
PubChem CID:	49666507
Reduced:	SO3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	416.106688
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	5.15
IP(EA), eV:	-8.78(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C=NC3=C(C2=O)SN=C3C(=O)N

DOS

IR

Vibrations