Geometry & MOs

Info

ID:	410587
PubChem CID:	135083387
Reduced:	ClNSH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	273.057255
ΔH_f, kcal/mol:	28.06
Dipole, Da:	3.17
IP(EA), eV:	-8.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(trifluoromethyl)oxatriazetidine-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C/C(=C/1\NC2=CC=CC=C2S1)/Cl

DOS

IR

Vibrations