Geometry & MOs

Info

ID:

317997

PubChem CID:

126648248

Reduced:

SN4O7C24H30 (1)

Stoich.:

AB4C7D24E30 (1)

Weight, g/mol:

465.119044

ΔHf, kcal/mol:

-242.42

Dipole, Da:

7.07

IP(EA), eV:

 -9.11(-0.48)

Spin(Sz, 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]-7-ethyl-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=NC=CC(=N3)O[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5OC(=O)C

DOS

IR

Vibrations