Geometry & MOs

Info

ID:

175824

PubChem CID:

75953388

Reduced:

SeF2N4O6H20C24 (1)

Stoich.:

AB2C4D6E20F24 (1)

Weight, g/mol:

812.33789

ΔHf, kcal/mol:

-247.47

Dipole, Da:

13.55

IP(EA), eV:

 -8.71(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-15,15-difluoro-23,37,40-trioxospiro[4,22-dioxa-1,6,13,24,36-pentazahexacyclo[23.14.1.03,38.05,14.07,12.033,35]tetraconta-5,7,9,11,13,16-hexaene-20,1'-cyclobutane]-35-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)CC(=O)NC4=NC(=O)N(C=C4)C5C(C(C(O5)CO)O)(F)F

DOS

IR

Vibrations