Geometry & MOs

Info

ID:	177351
PubChem CID:	76172415
Reduced:	SN3O7C21H25 (1)
Stoich.:	AB3C7D21E25 (1)
Weight, g/mol:	309.95892
ΔH_f, kcal/mol:	-195.0
Dipole, Da:	6.08
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bromo(phenyl)methylidene]-4-hydroxy-3-nitropyrrol-2-one

Drug info:

PubChemData

Smile

CCC(=C1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)N(C1=O)OC(=O)C(C)(C)C)O

DOS

IR

Vibrations