Geometry & MOs

Info

ID:

316126

PubChem CID:

126630138

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

838.254546

ΔHf, kcal/mol:

-201.36

Dipole, Da:

7.81

IP(EA), eV:

 -8.07(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)CC(=O)N5CCCC5)C(C)C)(C)C)C=C2

DOS

IR

Vibrations