Geometry & MOs

Info

ID:

327002

PubChem CID:

126688834

Reduced:

FSN3O3C23H30 (1)

Stoich.:

ABC3D3E23F30 (1)

Weight, g/mol:

445.221286

ΔHf, kcal/mol:

-107.75

Dipole, Da:

5.04

IP(EA), eV:

 -8.25(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6S,9aS)-5-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2,3,6,7,8,9a-hexahydro-[1,3]oxazolo[2,3-b][1,3]oxazepin-6-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(CCC1CC1)(C2=CC=NC=C2)C3=CC(=C(C=C3)F)NC(=O)OC

DOS

IR

Vibrations