Geometry & MOs

Info

ID:

390934

PubChem CID:

135001667

Reduced:

Cl2S2F3P3N5O11C18H27 (1)

Stoich.:

A2B2C3D3E5F11G18H27 (1)

Weight, g/mol:

606.255286

ΔHf, kcal/mol:

-776.19

Dipole, Da:

6.96

IP(EA), eV:

 -8.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[1-phenylmethoxycarbonyl-3-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyazetidin-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O

DOS

IR

Vibrations