Geometry & MOs

Info

ID:	260658
PubChem CID:	103199229
Reduced:	NF2S2O3H9C13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	323.0639
ΔH_f, kcal/mol:	-138.83
Dipole, Da:	5.64
IP(EA), eV:	-8.97(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(difluoromethyl)-2-(1,1-dioxothian-2-yl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2=CC3=C(S2)C=CS3)C(F)F

DOS

IR

Vibrations