Geometry & MOs

Info

ID:	171463
PubChem CID:	75379703
Reduced:	N2S2O3C15H20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	8.29
IP(EA), eV:	-9.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]ethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C(C)SCCS(=O)(=O)C)C

DOS

IR

Vibrations