Geometry & MOs

Info

ID:	55624
PubChem CID:	17395688
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	45.33
Dipole, Da:	7.42
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-methyl 2-O-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CN(C)C(CNC1=C2C=CSC2=NC=N1)C3=CC=CC=C3OC

DOS

IR

Vibrations