Geometry & MOs

Info

ID:

329482

PubChem CID:

126737325

Reduced:

SF2O3N5C27H29 (1)

Stoich.:

AB2C3D5E27F29 (1)

Weight, g/mol:

424.13176

ΔHf, kcal/mol:

-144.89

Dipole, Da:

8.54

IP(EA), eV:

 -9.15(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-aminospiro[4,4a,5,8-tetrahydropyrano[3,4-d][1,3]oxazine-6,1'-cyclobutane]-8a-yl)-1,3-thiazol-4-yl]-5-cyanopyridine-2-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)NC1CC(C1)N2C3=C(C=C(C=C3)C(=O)NC4CCCCC4)N=C2NC(=O)C5=CC=C(S5)C(F)F

DOS

IR

Vibrations