Geometry & MOs

Info

ID:

328356

PubChem CID:

126700797

Reduced:

FSO3N5H20C21 (1)

Stoich.:

ABC3D5E20F21 (1)

Weight, g/mol:

441.127089

ΔHf, kcal/mol:

-80.06

Dipole, Da:

9.46

IP(EA), eV:

 -8.6(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(2-amino-7-fluoro-1,3-benzothiazol-6-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)OC1=CC2=C3C(=C1)OCCCCN3C(=N2)C4=CC5=C(C=C4F)N=C(S5)N

DOS

IR

Vibrations