Geometry & MOs

Info

ID:	137088
PubChem CID:	52150943
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	338.102848
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	0.94
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-(3-methoxyphenyl)-1-methyl-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CN1[C@@H](C(=C(C1=O)O)C(=O)/C=C/C2=CC=CO2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations