Geometry & MOs

Info

ID:	180709
PubChem CID:	76672966
Reduced:	ClO4N5C18H18 (1)
Stoich.:	AB4C5D18E18 (1)
Weight, g/mol:	234.090352
ΔH_f, kcal/mol:	-84.73
Dipole, Da:	3.69
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl) acetate

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)O)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations