Geometry & MOs

Info

ID:	50871
PubChem CID:	12013461
Reduced:	NS2O6H21C26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-128.12
Dipole, Da:	7.74
IP(EA), eV:	-9.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R,4R)-4-(1,3-dioxoisoindol-2-yl)cyclopent-2-en-1-yl]-2-nitroacetate

Drug info:

PubChemData

Smile

C1[C@H](C=C[C@@H]1N2C(=O)C3=CC=CC=C3C2=O)C(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations