Geometry & MOs

Info

ID:

80506

PubChem CID:

49834823

Reduced:

BN2O5C18H19 (1)

Stoich.:

AB2C5D18E19 (1)

Weight, g/mol:

434.2217

ΔHf, kcal/mol:

-224.1

Dipole, Da:

5.97

IP(EA), eV:

 -9.36(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-fluoropyridin-2-yl)-3-[(1S,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]propanamide

Drug info:

PubChemData

Smile

B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)CNC)O

DOS

IR

Vibrations