Geometry & MOs

Info

ID:

317960

PubChem CID:

126648005

Reduced:

SCl2F3N5O9C62H88 (1)

Stoich.:

AB2C3D5E9F62G88 (1)

Weight, g/mol:

1205.563191

ΔHf, kcal/mol:

-428.26

Dipole, Da:

5.87

IP(EA), eV:

 -9.19(-1.84)

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-[(4S)-4-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexanoylamino]propoxy]ethyl]cyclooctyl]oxyethoxy]propyl]hexanamide

Drug info:

PubChemData

Smile

CC(C)(C)OCCCCCC(=O)NCCCOCC[C@H]1CCCCCC(C1)OCCOCCCNC(=O)CCCCCOC2=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