Geometry & MOs

Info

ID:

47231

PubChem CID:

10530777

Reduced:

BrSN3C30H40 (1)

Stoich.:

ABC3D30E40 (1)

Weight, g/mol:

554.345483

ΔHf, kcal/mol:

66.6

Dipole, Da:

4.66

IP(EA), eV:

 -6.69(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6S)-2-methyl-6-[(2S,3S,6S)-2-methyl-6-[(2S,3S,6S)-2-methyl-6-[(3,3,9-trimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]oxan-3-yl]oxyoxan-3-yl]oxy-3,6-dihydro-2H-pyran-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4S3)CC=C.[Br-]

DOS

IR

Vibrations