Geometry & MOs

Info

ID:	133195
PubChem CID:	51490804
Reduced:	S2O3N4C22H28 (1)
Stoich.:	A2B3C4D22E28 (1)
Weight, g/mol:	442.114042
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	7.11
IP(EA), eV:	-8.71(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,6aR)-3-(furan-2-yl)-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N[C@@](C)(C#N)C3CC3)C[C@H]4CCCO4)C

DOS

IR

Vibrations