Geometry & MOs

Info

ID:

162950

PubChem CID:

57580984

Reduced:

NO5H22C23 (1)

Stoich.:

AB5C22D23 (1)

Weight, g/mol:

483.115187

ΔHf, kcal/mol:

-123.26

Dipole, Da:

3.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.773707

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-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)CC1=C2C(=CC3=[N+]1CCC4=CC5=C(C=C43)OCO5)C=CC(=C2OC)OC

DOS

IR

Vibrations