Geometry & MOs

Info

ID:	306979
PubChem CID:	125264539
Reduced:	FOSN3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	360.089226
ΔH_f, kcal/mol:	38.76
Dipole, Da:	2.58
IP(EA), eV:	-9.51(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5R)-4-methyl-2,6-dioxo-5H-pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C(=O)N=C(N=N2)SCC3=CC=CC=C3F

DOS

IR

Vibrations