Geometry & MOs

Info

ID:

446872

PubChem CID:

135278383

Reduced:

ClFSN5O7H49C51 (1)

Stoich.:

ABCD5E7F49G51 (1)

Weight, g/mol:

482.278072

ΔHf, kcal/mol:

-197.47

Dipole, Da:

5.98

IP(EA), eV:

 -8.49(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-[2-(4-phenylmethoxyphenoxy)ethoxy]azetidin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)Cl)O)NC(=O)CC3=CC=C(C=C3)C4=NN(C=C4)CCOC5=CC=C(C=C5)OC6=C(SC7=C6C=CC(=C7)O)C8=CC=C(C=C8)F

DOS

IR

Vibrations