Geometry & MOs

Info

ID:

328355

PubChem CID:

126700791

Reduced:

O3N7C22H27 (1)

Stoich.:

A3B7C22D27 (1)

Weight, g/mol:

441.127089

ΔHf, kcal/mol:

-32.08

Dipole, Da:

7.37

IP(EA), eV:

 -8.18(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-(2-amino-5-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

CC(C)(C(=O)N)N1C=C(C=N1)C2=NC3=C4N2CCCOC4=CC(=C3)N[C@@H](C5CC5)C(=O)N

DOS

IR

Vibrations