Geometry & MOs

Info

ID:

335860

PubChem CID:

127254722

Reduced:

NO6C27H27 (1)

Stoich.:

AB6C27D27 (1)

Weight, g/mol:

607.160657

ΔHf, kcal/mol:

-130.23

Dipole, Da:

4.43

IP(EA), eV:

 -8.95(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(1R,2R)-1',3'-dioxo-2-[4-(trifluoromethyl)phenyl]spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carbonyl]phenyl] acetate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=C(C(=C(C=C4)OC)OC)OC)O

DOS

IR

Vibrations