Geometry & MOs

Info

ID:	131736
PubChem CID:	51255484
Reduced:	SN2O3H14C20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	326.047361
ΔH_f, kcal/mol:	6.6
Dipole, Da:	7.9
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyanomethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)OCC#N

DOS

IR

Vibrations