Geometry & MOs

Info

ID:

316129

PubChem CID:

126630164

Reduced:

N5O7C31H41 (1)

Stoich.:

A5B7C31D41 (1)

Weight, g/mol:

1236.469744

ΔHf, kcal/mol:

-221.96

Dipole, Da:

7.87

IP(EA), eV:

 -8.85(-0.62)

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]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)CC(O)O)C(C)C)(C)C)C=C2

DOS

IR

Vibrations