Geometry & MOs

Info

ID:	226124
PubChem CID:	87325824
Reduced:	F2N2S2O3C19H20 (1)
Stoich.:	A2B2C2D3E19F20 (1)
Weight, g/mol:	218.188195
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	4.82
IP(EA), eV:	-9.16(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethanol;ethene;octanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)/C(=C\C2CC(C(C2)F)F)/C(=O)NC3=NC=CS3

DOS

IR

Vibrations