Geometry & MOs

Info

ID:

316132

PubChem CID:

126630170

Reduced:

SCl2F3N4O16C57H81 (1)

Stoich.:

AB2C3D4E16F57G81 (1)

Weight, g/mol:

1135.422065

ΔHf, kcal/mol:

-801.13

Dipole, Da:

3.79

IP(EA), eV:

 -9.07(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[bis(4-chlorophenyl)methyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=CC1=O)NC5CCN(CC5)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations