Geometry & MOs

Info

ID:	128515
PubChem CID:	51048023
Reduced:	NO5H21C25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	525.251523
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	10.62
IP(EA), eV:	-9.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-pentoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CC=CC=C4)C5=CC=CO5)/O

DOS

IR

Vibrations