Geometry & MOs

Info

ID:

316123

PubChem CID:

126630128

Reduced:

SCl2F3N4O7C41H41 (1)

Stoich.:

AB2C3D4E7F41G41 (1)

Weight, g/mol:

697.139182

ΔHf, kcal/mol:

-356.56

Dipole, Da:

4.74

IP(EA), eV:

 -8.92(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-yl]oxyethoxy]ethanol

Drug info:

PubChemData

Smile

COCCNC(=O)OCC1=CC=C(C=C1)OCCOC2=NC3=C(C=C(C=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C(=C2)NC6CCN(CC6)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations