Geometry & MOs

Info

ID:

310539

PubChem CID:

126581771

Reduced:

FSO5N8C24H25 (1)

Stoich.:

ABC5D8E24F25 (1)

Weight, g/mol:

373.261694

ΔHf, kcal/mol:

-82.69

Dipole, Da:

2.47

IP(EA), eV:

 -8.94(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S)-8-[(3Z)-3-[(2Z,4R)-4-(3-ethoxypropyl)-2-ethylidenecyclohexylidene]prop-1-en-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one

Drug info:

PubChemData

Smile

C[C@H](CC1=NC=C(C=N1)F)S(=O)(=O)NC2=NNC(=N2)C3=CN=C(C=C3)C(=O)N(C)C4=C(C=CC=C4OC)OC

DOS

IR

Vibrations