Geometry & MOs

Info

ID:

300613

PubChem CID:

123045248

Reduced:

NO7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

530.205301

ΔHf, kcal/mol:

-220.29

Dipole, Da:

3.71

IP(EA), eV:

 -9.14(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(4-tert-butylphenyl)-5-(4-hydroxy-3-nitrophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations