Geometry & MOs

Info

ID:	149970
PubChem CID:	53789653
Reduced:	SO3C20H34 (1)
Stoich.:	AB3C20D34 (1)
Weight, g/mol:	562.118556
ΔH_f, kcal/mol:	-181.38
Dipole, Da:	6.03
IP(EA), eV:	-8.5(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-N-[3-[[(3S,4S)-6-[(4-fluoroquinolin-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CCC2CSCC2CC=CCCCC(=O)O)O

DOS

IR

Vibrations