Geometry & MOs

Info

ID:

84291

PubChem CID:

49865279

Reduced:

FS2O5N6C25H25 (1)

Stoich.:

AB2C5D6E25F25 (1)

Weight, g/mol:

434.196748

ΔHf, kcal/mol:

-126.67

Dipole, Da:

8.54

IP(EA), eV:

 -7.76(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl) heptanoate

Drug info:

PubChemData

Smile

CN1CCN(S1(=O)=O)C2=CC(=CN3C2=N/C(=C\4/NC=C(S4)CC5=CC=C(C=C5)F)/C(=O)C3=O)N6CCOCC6

DOS

IR

Vibrations