Geometry & MOs

Info

ID:

219844

PubChem CID:

85164954

Reduced:

PN5O8C21H22 (1)

Stoich.:

AB5C8D21E22 (1)

Weight, g/mol:

606.304012

ΔHf, kcal/mol:

-263.15

Dipole, Da:

8.13

IP(EA), eV:

 -9.85(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[8-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methoxy]-4-oxobutan-2-yl] 3-acetyloxybutanoate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2C(=N1)N(C=N2)C3CC(C(O3)CO[P+](=O)[O-])OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations