Geometry & MOs

Info

ID:

305049

PubChem CID:

124766465

Reduced:

ClNO2H22C25 (1)

Stoich.:

ABC2D22E25 (1)

Weight, g/mol:

463.060484

ΔHf, kcal/mol:

-18.02

Dipole, Da:

7.97

IP(EA), eV:

 -8.64(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3aS,4S,9bR)-1-chloro-4-methyl-9-nitro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

C1C=C[C@H]2[C@H]1CN3[C@H]([C@H]4CC=C[C@H]4C5=CC(=CC2=C53)C(=O)O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations