Geometry & MOs

Info

ID:	396521
PubChem CID:	135028619
Reduced:	BNPO2C17H20 (1)
Stoich.:	ABCD2E17F20 (1)
Weight, g/mol:	504.106573
ΔH_f, kcal/mol:	97.81
Dipole, Da:	6.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756898
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4aR,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

[B][P+](C1=CC=CC=C1)(C2=CC=CC=C2)C(CC)C(=O)NOC

DOS

IR

Vibrations