Geometry & MOs

Info

ID:

393163

PubChem CID:

135019607

Reduced:

SN2O10C28H42 (1)

Stoich.:

AB2C10D28E42 (1)

Weight, g/mol:

664.397928

ΔHf, kcal/mol:

-353.69

Dipole, Da:

5.98

IP(EA), eV:

 -9.69(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(methoxymethoxy)-1,4,5,6,7,7a-hexahydroinden-3a-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C[C@@H]2CC(CC(C23[C@@H]1CCCN(CCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCOC)COCOC

DOS

IR

Vibrations