Geometry & MOs

Info

ID:	397916
PubChem CID:	135030966
Reduced:	FNOC8H11 (2)
Stoich.:	ABCD8E11 (2)
Weight, g/mol:	374.194937
ΔH_f, kcal/mol:	-166.48
Dipole, Da:	3.6
IP(EA), eV:	-8.78(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,9R)-9-[(2-ethyl-1,3-dioxolan-2-yl)methyl]-7-pentyl-8-oxa-1,5-dithiaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CCOC(=O)C(/C(=N/N(C)C)/C1=C(C=C(C=C1C)C)C)(F)F

DOS

IR

Vibrations