Geometry & MOs

Info

ID:	189617
PubChem CID:	77882064
Reduced:	PSNa2N3O7C17H18 (1)
Stoich.:	ABC2D3E7F17G18 (1)
Weight, g/mol:	290.101037
ΔH_f, kcal/mol:	-365.97
Dipole, Da:	9.39
IP(EA), eV:	-8.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,3-bis(methylsulfanyl)prop-2-enyl]-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)P(=O)([O-])[O-].[Na+].[Na+]

DOS

IR

Vibrations