Geometry & MOs

Info

ID:

328036

PubChem CID:

126691813

Reduced:

ClO2N4F6H19C25 (1)

Stoich.:

AB2C4D6E19F25 (1)

Weight, g/mol:

483.113188

ΔHf, kcal/mol:

-298.57

Dipole, Da:

7.05

IP(EA), eV:

 -9.58(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-9-(4-chloro-1,3-thiazol-2-yl)-7-(hydroxymethyl)-1,3,9-trimethyl-5-[3-(methylideneamino)phenyl]-7,8-dihydropyrimido[4,5-a]pyrrolizine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H]1C(OC(=O)N1CC2=NC(=NC=C2C3=CC=CC=C3Cl)N4CC(C4)(F)F)C5=CC(=CC(=C5)F)C(F)(F)F

DOS

IR

Vibrations