Geometry & MOs

Info

ID:	388606
PubChem CID:	134989621
Reduced:	ClSSeO4H7C11 (1)
Stoich.:	ABCD4E7F11 (1)
Weight, g/mol:	133.063997
ΔH_f, kcal/mol:	74.66
Dipole, Da:	14.12
IP(EA), eV:	-9.44(-3.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-5-methyl-3,4-dihydro-2H-pyrrole-3,4-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)[Se](=CC=C3)OCl(=O)(=O)=O

DOS

IR

Vibrations