Geometry & MOs

Info

ID:	133198
PubChem CID:	51491989
Reduced:	ClSN2O3C19H25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	434.103335
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	5.39
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,6aS)-2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CC(=O)N([C@H]3[C@H]2CS(=O)(=O)C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations