Geometry & MOs

Info

ID:

390273

PubChem CID:

134998207

Reduced:

PCl2F2O2N3H18C25 (1)

Stoich.:

AB2C2D2E3F18G25 (1)

Weight, g/mol:

480.235933

ΔHf, kcal/mol:

-60.33

Dipole, Da:

7.57

IP(EA), eV:

 -9.57(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(2,3-dimethoxy-2,3,5-trimethyl-7-phenylmethoxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-yl)oxy]-2-methyl-3,6-dihydro-2H-pyran-3-ol

Drug info:

PubChemData

Smile

CC1(CCC2N1OC(=N2)C3=C(C(=C(C(=C3Cl)F)F)Cl)C#N)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations