Geometry & MOs

Info

ID:

162946

PubChem CID:

57580979

Reduced:

NSF2O6H21C25 (1)

Stoich.:

ABC2D6E21F25 (1)

Weight, g/mol:

479.140259

ΔHf, kcal/mol:

-243.06

Dipole, Da:

5.21

IP(EA), eV:

 -8.27(-1.51)

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-methylbenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations