Geometry & MOs

Info

ID:	389156
PubChem CID:	134991356
Reduced:	CoN4O8C24H40 (1)
Stoich.:	AB4C8D24E40 (1)
Weight, g/mol:	712.214363
ΔH_f, kcal/mol:	-389.43
Dipole, Da:	24.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.774349
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,6S,7S,8S,8aR)-7,8-bis(diphenylphosphoryl)-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CC(C(=O)/C=C\O)(CC(=O)NN1CCOCC1)C.CC(C(=O)/C=C\O)(CC(=O)NN1CCOCC1)C.[Co]

DOS

IR

Vibrations