Geometry & MOs

Info

ID:

336272

PubChem CID:

127255279

Reduced:

SN3O6C19H22 (1)

Stoich.:

AB3C6D19E22 (1)

Weight, g/mol:

580.04563

ΔHf, kcal/mol:

-143.68

Dipole, Da:

6.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.891529

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2'S,3R)-1'-(4-bromobenzoyl)-2'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C)C

DOS

IR

Vibrations