Geometry & MOs

Info

ID:	402889
PubChem CID:	135057717
Reduced:	FN2O3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	322.119858
ΔH_f, kcal/mol:	-94.26
Dipole, Da:	4.06
IP(EA), eV:	-8.83(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 5-O-ethyl 5-methyl-1,1-dioxo-1,2,6-thiadiazinane-2,5-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)F

DOS

IR

Vibrations