Geometry & MOs

Info

ID:

170425

PubChem CID:

75231450

Reduced:

O3F4N5H23C25 (1)

Stoich.:

A3B4C5D23E25 (1)

Weight, g/mol:

474.138006

ΔHf, kcal/mol:

-250.33

Dipole, Da:

7.96

IP(EA), eV:

 -8.92(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-8-hydroxy-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1COCC1(C(=O)NCC2=C(C=C(C=C2)NC3=CC=CC=C3C(F)(F)F)F)NC(=O)C4=CC(=CN=C4)N

DOS

IR

Vibrations