Geometry & MOs

Info

ID:

431504

PubChem CID:

135171585

Reduced:

FSN3O3C19H22 (1)

Stoich.:

ABC3D3E19F22 (1)

Weight, g/mol:

541.44297

ΔHf, kcal/mol:

-109.82

Dipole, Da:

3.26

IP(EA), eV:

 -8.55(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,2-ditert-butyl-4-[[1,6-dimethyl-8-[2-methyl-2-(1-propan-2-ylazetidin-2-yl)propyl]-3,4,5,8,9,9a-hexahydro-1H-cyclopenta[c]thiocin-6-yl]methyl]imidazole

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C2=C(N=CC(=C2)NSC3=C(C=CC(=C3)F)OC)OC

DOS

IR

Vibrations