Geometry & MOs

Info

ID:

316131

PubChem CID:

126630167

Reduced:

O4N5C29H37 (1)

Stoich.:

A4B5C29D37 (1)

Weight, g/mol:

1236.469744

ΔHf, kcal/mol:

-133.75

Dipole, Da:

3.63

IP(EA), eV:

 -9.31(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[bis(4-chlorophenyl)methyl]-2-oxo-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC(=NC=C2C=C1)C3=CC(=CC=C3)C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NN)O

DOS

IR

Vibrations