Geometry & MOs

Info

ID:	327492
PubChem CID:	126690096
Reduced:	FS2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	552.18654
ΔH_f, kcal/mol:	101.22
Dipole, Da:	2.43
IP(EA), eV:	-8.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,8aR,9R,10R,11aS)-9-[3-(2-hydroxyethyl)decyl]-10-iodophosphanyloxy-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(=N2)C3=CCN(CC3)SC)N(C)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations