Geometry & MOs

Info

ID:

329483

PubChem CID:

126737344

Reduced:

SO3N6C20H20 (1)

Stoich.:

AB3C6D20E20 (1)

Weight, g/mol:

600.99038

ΔHf, kcal/mol:

6.96

Dipole, Da:

1.34

IP(EA), eV:

 -9.02(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4aR,6R,8aR)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-[fluoro(iodo)methoxy]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2(C1)CC3COC(=NC3(CO2)C4=NC(=CS4)NC(=O)C5=NC=C(C=C5)C#N)N

DOS

IR

Vibrations