Geometry & MOs

Info

ID:	137091
PubChem CID:	52151233
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	18.27
IP(EA), eV:	-8.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,3-dimethoxyphenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CCN2[C@H](C(=C(C2=O)[O-])C(=O)/C=C/C3=CC=CO3)C4=CC=CC=N4

DOS

IR

Vibrations