Geometry & MOs

Info

ID:	133711
PubChem CID:	51577921
Reduced:	SO3N4C28H28 (1)
Stoich.:	AB3C4D28E28 (1)
Weight, g/mol:	473.158685
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	7.19
IP(EA), eV:	-8.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,6aS)-2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H]2C(=C(C(=NC3=CC=CC=C3)S2)C(=O)NC4=C(C=CC=C4C)C)N

DOS

IR

Vibrations