Geometry & MOs

Info

ID:

179208

PubChem CID:

76451126

Reduced:

NiSN5H31C51 (1)

Stoich.:

ABC5D31E51 (1)

Weight, g/mol:

463.202859

ΔHf, kcal/mol:

508.25

Dipole, Da:

4.33

IP(EA), eV:

 -7.12(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)sulfanylcarbonyl]phenyl]pentyl 2-pyrrolidin-1-ylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=CC4=C5[N-]C6=CC=CC=C6S5)C(=C7C=CC(=N7)C(=C8C=CC2=N8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)[N-]3.[Ni+2]

DOS

IR

Vibrations