Geometry & MOs

Info

ID:	300797
PubChem CID:	123055040
Reduced:	N3O4C33H37 (1)
Stoich.:	A3B4C33D37 (1)
Weight, g/mol:	529.246438
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	5.46
IP(EA), eV:	-7.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3,4-diethoxyphenyl)-5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations