Geometry & MOs

Info

ID:

192753

PubChem CID:

78308364

Reduced:

ClO2N7C29H32 (1)

Stoich.:

AB2C7D29E32 (1)

Weight, g/mol:

522.156691

ΔHf, kcal/mol:

67.25

Dipole, Da:

8.41

IP(EA), eV:

 -8.41(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-N-cyclopentyl-N-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=C3C=C4C=C(C(=CC4=NC3=O)C)C)C5=NN=NN5CC6CCCO6

DOS

IR

Vibrations