Geometry & MOs

Info

ID:

425124

PubChem CID:

135125246

Reduced:

ClON2H21C22 (1)

Stoich.:

ABC2D21E22 (1)

Weight, g/mol:

610.11599

ΔHf, kcal/mol:

7.78

Dipole, Da:

5.66

IP(EA), eV:

 -8.57(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3R,6R)-3-(5-bromo-2-fluorophenyl)-6-(fluoromethyl)-6-(2-hydroxyethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

C1CC2(CCNCC2)OC3=C1C=C(C=C3)C4=C(C5=C(C=CC=N5)C=C4)Cl

DOS

IR

Vibrations