Geometry & MOs

Info

ID:	50545
PubChem CID:	12013092
Reduced:	FPO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	360.12906
ΔH_f, kcal/mol:	-206.68
Dipole, Da:	1.71
IP(EA), eV:	-10.02(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S)-15-diethoxyphosphoryl-15-fluorotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C/1\C[C@@H]2C[C@H]1C=C2)/F)OCC

DOS

IR

Vibrations