Geometry & MOs

Info

ID:	304644
PubChem CID:	124766012
Reduced:	FN2O5C27H29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	258.089209
ΔH_f, kcal/mol:	-221.76
Dipole, Da:	6.65
IP(EA), eV:	-9.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7S,7aR)-6-methyl-7-phenyl-4,6,7,7a-tetrahydro-3aH-2-benzofuran-1,3,5-trione

Drug info:

PubChemData

Smile

CCCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)C)C(=O)OCC

DOS

IR

Vibrations