Geometry & MOs

Info

ID:	390022
PubChem CID:	134996649
Reduced:	N2O5H10C11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	284.105786
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	5.72
IP(EA), eV:	-9.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-4,4,4-trifluoro-3-hexylsulfanylbut-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C=C(NC2=C1)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations