Geometry & MOs

Info

ID:

382277

PubChem CID:

134973333

Reduced:

NSiO7C35H45 (1)

Stoich.:

ABC7D35E45 (1)

Weight, g/mol:

565.288697

ΔHf, kcal/mol:

-306.69

Dipole, Da:

2.86

IP(EA), eV:

 -8.99(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6R,8aS)-6-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-(methoxymethoxy)methyl]-8-(methoxymethoxy)-6-methyl-2-phenyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@@H]3[C@H](OC(O3)(C)C)[C@H](C(=O)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations