Geometry & MOs

Info

ID:	404727
PubChem CID:	135069972
Reduced:	BrSN3O6C26H34 (1)
Stoich.:	ABC3D6E26F34 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-169.64
Dipole, Da:	9.3
IP(EA), eV:	-9.64(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 1,6-dihydropyrrolo[2,3-b]pyrrole-2,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@@H]2[C@H](C[C@H](N2C(=O)OC(C)(C)C)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations