Geometry & MOs

Info

ID:

220683

PubChem CID:

85202713

Reduced:

BPN3O3C41H51 (1)

Stoich.:

ABC3D3E41F51 (1)

Weight, g/mol:

678.227219

ΔHf, kcal/mol:

-38.55

Dipole, Da:

25.75

IP(EA), eV:

 -7.23(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,3,4,5-tetraacetyloxy-5-(10-ethoxy-3,5-dioxo-4-phenyl-7,9-dioxa-4,8-diazatricyclo[6.4.0.02,6]dodecan-12-yl)pentyl] acetate

Drug info:

PubChemData

Smile

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)[P+](C=CC1=C(C=C(C=C1OC)OC)OC)(N(C)C)N(C)C

DOS

IR

Vibrations