Geometry & MOs

Info

ID:	133441
PubChem CID:	51527960
Reduced:	SN3O4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	472.014825
ΔH_f, kcal/mol:	34.74
Dipole, Da:	17.71
IP(EA), eV:	-8.53(-3.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)/C=C\3/C(=NC(=S)N(C3=O)C)[O-]

DOS

IR

Vibrations