Geometry & MOs

Info

ID:

162945

PubChem CID:

57580975

Reduced:

SO6H26C27 (1)

Stoich.:

AB6C26D27 (1)

Weight, g/mol:

501.105765

ΔHf, kcal/mol:

-172.32

Dipole, Da:

3.02

IP(EA), eV:

 -8.42(-0.53)

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) 2,4-difluorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C(C2)CCC4=CC5=C(C=C34)OCO5)C=C1)OS(=O)(=O)CC6=CC=CC=C6

DOS

IR

Vibrations