Geometry & MOs

Info

ID:	317863
PubChem CID:	126646562
Reduced:	NaSO2C8H15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	545.125273
ΔH_f, kcal/mol:	-156.13
Dipole, Da:	7.65
IP(EA), eV:	-8.81(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(3S,3aR,6S,6aR)-6-(2-chloroacetyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C(CCCC(=O)[O-])CCCS.[Na+]

DOS

IR

Vibrations