Geometry & MOs

Info

ID:

162937

PubChem CID:

57580948

Reduced:

NSO6C27H27 (1)

Stoich.:

ABC6D27E27 (1)

Weight, g/mol:

543.102159

ΔHf, kcal/mol:

-149.31

Dipole, Da:

4.48

IP(EA), eV:

 -8.49(-0.62)

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-methylsulfonylbenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations