Geometry & MOs

Info

ID:	36580
PubChem CID:	8009076
Reduced:	SN2O3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	395.038748
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	3.56
IP(EA), eV:	-9.54(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CNC(=O)C2=CC=CS2

DOS

IR

Vibrations