Geometry & MOs

Info

ID:	222367
PubChem CID:	85297279
Reduced:	PSO5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	412.178693
ΔH_f, kcal/mol:	-269.09
Dipole, Da:	6.68
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-phenyl-3-(2-phenylethyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

CCOP(=S)(CC1CC(OC1COC(=O)C2=CC=CC=C2)CC=C)OCC

DOS

IR

Vibrations