Geometry & MOs

Info

ID:

83621

PubChem CID:

49859181

Reduced:

NO3C14H20 (2)

Stoich.:

AB3C14D20 (2)

Weight, g/mol:

609.236267

ΔHf, kcal/mol:

-238.33

Dipole, Da:

2.92

IP(EA), eV:

 -9.54(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-6-methoxy-4-[[(2S,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxyimino]-2-(3-methoxyphenyl)-2,3-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@H]2C1=O)[C@@H]([C@@H](CC3=NOC[C@@H](C)[C@@H](C(C)C)OCC4=CC=CC=C4)O)O

DOS

IR

Vibrations