Geometry & MOs

Info

ID:

335998

PubChem CID:

127255005

Reduced:

SN2O7H28C31 (1)

Stoich.:

AB2C7D28E31 (1)

Weight, g/mol:

593.140529

ΔHf, kcal/mol:

-189.07

Dipole, Da:

3.02

IP(EA), eV:

 -8.3(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-1-(4-chlorobenzoyl)-2-(2,5-dimethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C=CN4[C@@H]3C(=O)C6=C(C=CC(=C6)OC)OC)C

DOS

IR

Vibrations