Geometry & MOs

Info

ID:	137089
PubChem CID:	52150944
Reduced:	NO5H16C19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775164
Charge, e:	0

Chem-info

IUPAC name:

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

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