Geometry & MOs

Info

ID:	260671
PubChem CID:	103199491
Reduced:	NSBr2F3O3H6C11 (1)
Stoich.:	ABC2D3E3F6G11 (1)
Weight, g/mol:	293.087492
ΔH_f, kcal/mol:	-199.33
Dipole, Da:	5.7
IP(EA), eV:	-9.88(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2=CC(=C(S2)Br)Br)C(F)(F)F

DOS

IR

Vibrations