Geometry & MOs

Info

ID:	380582
PubChem CID:	134971067
Reduced:	OH19C21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	330.143136
ΔH_f, kcal/mol:	39.63
Dipole, Da:	0.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.040983
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5S)-2-ethyl-6-fluoro-3-(2-fluorophenyl)-5-methyl-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene

Drug info:

PubChemData

Smile

C1C2C=C[CH+]C=C2[C@H]([C@@H](O1)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations