Geometry & MOs

Info

ID:	167105
PubChem CID:	74780516
Reduced:	FSN2O2H25C28 (1)
Stoich.:	ABC2D2E25F28 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	3.43
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopentyl-3-[(3,4-dimethoxyphenyl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCC2=CC=C(C=C2)F)CN(CC3=CC=NC=C3)C(=O)C=CC4=CC=CS4

DOS

IR

Vibrations