Geometry & MOs

Info

ID:

415390

PubChem CID:

135088384

Reduced:

SN2F3O4C15H19 (1)

Stoich.:

AB2C3D4E15F19 (1)

Weight, g/mol:

538.233996

ΔHf, kcal/mol:

-307.3

Dipole, Da:

9.51

IP(EA), eV:

 -9.98(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-fluoro-20-methoxy-9,18-dioxa-1,13,14,15,25,28-hexazapentacyclo[26.2.2.113,16.119,23.03,8]tetratriaconta-3(8),4,6,14,16(34),19,21,23(33)-octaene-2,24-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations