Geometry & MOs

Info

ID:	301168
PubChem CID:	123067430
Reduced:	ClNO4H28C29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	491.113565
ΔH_f, kcal/mol:	-94.99
Dipole, Da:	10.61
IP(EA), eV:	-8.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations