Geometry & MOs

Info

ID:

301119

PubChem CID:

123059939

Reduced:

SN2O6H26C30 (1)

Stoich.:

AB2C6D26E30 (1)

Weight, g/mol:

511.247107

ΔHf, kcal/mol:

-128.42

Dipole, Da:

11.71

IP(EA), eV:

 -9.24(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC5=CC=CC=C54)/O

DOS

IR

Vibrations