Geometry & MOs

Info

ID:	318628
PubChem CID:	126652373
Reduced:	ClNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	464.138365
ΔH_f, kcal/mol:	-134.13
Dipole, Da:	3.0
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6S,6aR)-3-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)CC(=O)C=C

DOS

IR

Vibrations