Geometry & MOs

Info

ID:

187495

PubChem CID:

77581119

Reduced:

Cl2N2F3O7C28H31 (1)

Stoich.:

A2B2C3D7E28F31 (1)

Weight, g/mol:

520.153177

ΔHf, kcal/mol:

-441.82

Dipole, Da:

6.11

IP(EA), eV:

 -8.81(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-chloro-2-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1O)C(=O)C2=C(C=CC(=C2)Cl)OCC(CN3CCC4(CC3)CC5=C(O4)C=CC(=C5)Cl)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations