Geometry & MOs

Info

ID:

296822

PubChem CID:

117594899

Reduced:

ClNO6H38C39 (1)

Stoich.:

ABC6D38E39 (1)

Weight, g/mol:

639.351966

ΔHf, kcal/mol:

-203.3

Dipole, Da:

6.44

IP(EA), eV:

 -8.11(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-16-ol

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)C)O)O.CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations