Geometry & MOs

Info

ID:	376674
PubChem CID:	134222697
Reduced:	O2C7H7F9 (1)
Stoich.:	A2B7C7D9 (1)
Weight, g/mol:	437.220223
ΔH_f, kcal/mol:	-584.0
Dipole, Da:	3.03
IP(EA), eV:	-12.25(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4,5-dihydroxy-6-[(E)-2-[(1R,3S,4S)-4-hydroxy-1,3-dimethylcyclohexyl]ethenyl]-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C(C(O)(F)F)(C(F)(F)F)F)OC(F)(F)F

DOS

IR

Vibrations