Geometry & MOs

Info

ID:	30614
PubChem CID:	841574
Reduced:	ON2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	343.105587
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	6.05
IP(EA), eV:	-8.21(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCN1C(=C(C2=C1C=CC(=C2)C(=O)NC3CCCCCCC3)C)C

DOS

IR

Vibrations