Geometry & MOs

Info

ID:

162951

PubChem CID:

57580993

Reduced:

FNSO6H22C25 (1)

Stoich.:

ABCD6E22F25 (1)

Weight, g/mol:

495.135173

ΔHf, kcal/mol:

-196.33

Dipole, Da:

5.46

IP(EA), eV:

 -8.4(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-16-yl) 4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OS(=O)(=O)C6=CC=CC=C6F

DOS

IR

Vibrations