Geometry & MOs

Info

ID:	137087
PubChem CID:	52150274
Reduced:	N5C22H24 (1)
Stoich.:	A5B22C24 (1)
Weight, g/mol:	339.110673
ΔH_f, kcal/mol:	136.48
Dipole, Da:	16.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.031573
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxyphenyl)-1-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=C(N=NC4=C3C=C(C=C4)C)C#N

DOS

IR

Vibrations