Geometry & MOs

Info

ID:

222136

PubChem CID:

85294602

Reduced:

INSiO10C40H54 (1)

Stoich.:

ABCD10E40F54 (1)

Weight, g/mol:

892.162731

ΔHf, kcal/mol:

-290.99

Dipole, Da:

20.12

IP(EA), eV:

 -6.44(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-[3,4,5-triacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)[N+](C)(C)CC1C2C3(COC2(C(=O)OC)OCC4=CC=CC=C4)C5CC(C6(C3C(C1=O)OC6)C(=O)OC)OC(O5)C7=CC=CC=C7.[I-]

DOS

IR

Vibrations