Geometry & MOs

Info

ID:

127177

PubChem CID:

50993409

Reduced:

SN7O20C90H141 (1)

Stoich.:

AB7C20D90E141 (1)

Weight, g/mol:

437.087744

ΔHf, kcal/mol:

-944.74

Dipole, Da:

12.19

IP(EA), eV:

 -8.72(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(6-chloro-3-formylindol-1-yl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)NCCOCCOCCOCCC(=O)NCCOCCOCCOCCC(=O)NCCOCCOCCOCCC(=O)N[C@@H](CC(=O)O[C@H]5CC[C@]6([C@H](C5)CC[C@@H]7[C@@H]6CC[C@]8([C@H]7CC[C@@H]8[C@H](C)CCCC(C)C)C)C)C(=O)N

DOS

IR

Vibrations