Geometry & MOs

Info

ID:

316127

PubChem CID:

126630153

Reduced:

SCl2F3N4O6C40H47 (1)

Stoich.:

AB2C3D4E6F40G47 (1)

Weight, g/mol:

1766.524631

ΔHf, kcal/mol:

-363.8

Dipole, Da:

1.69

IP(EA), eV:

 -8.82(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]sulfonyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide

Drug info:

PubChemData

Smile

COCCOCCCNC(=O)CCCCCOC1=NC2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=C1)NC5CCN(CC5)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations