Geometry & MOs

Info

ID:	440207
PubChem CID:	135230117
Reduced:	NOSC7H12 (2)
Stoich.:	ABCD7E12 (2)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-11.34
Dipole, Da:	4.92
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-propylheptyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCC(C)C(C)SSC(=N/C=C\C(C)[N+](=O)[O-])/C=C\C

DOS

IR

Vibrations