Geometry & MOs

Info

ID:

398685

PubChem CID:

135034808

Reduced:

FSiN2O2C27H41 (1)

Stoich.:

ABC2D2E27F41 (1)

Weight, g/mol:

458.2217

ΔHf, kcal/mol:

-132.03

Dipole, Da:

5.31

IP(EA), eV:

 -8.71(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl (1R,2R,9S,11S)-6-fluoro-5-piperidin-1-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-triene-13,13-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CC#CC1=NC(=C(C=C1C=O)F)N2CCCCC2)C(C)(C)CC=C

DOS

IR

Vibrations