Geometry & MOs

Info

ID:

45129

PubChem CID:

10508220

Reduced:

N2O7C36H56 (1)

Stoich.:

A2B7C36D56 (1)

Weight, g/mol:

628.463535

ΔHf, kcal/mol:

-344.68

Dipole, Da:

11.01

IP(EA), eV:

 -9.92(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1-[[(2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-3-yl]oxy]-2-diazonioethenolate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@H]1O)C)CC[C@H]4[C@]3(CC[C@@]5([C@@H]4[C@@H](CC5)C(=C)C)C(=O)N[C@@H](C)C(=O)O)C)C)C

DOS

IR

Vibrations