Geometry & MOs

Info

ID:

300841

PubChem CID:

123055168

Reduced:

ClNO6H26C29 (1)

Stoich.:

ABC6D26E29 (1)

Weight, g/mol:

542.241687

ΔHf, kcal/mol:

-179.62

Dipole, Da:

9.02

IP(EA), eV:

 -9.02(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3Z)-1-[4-(diethylamino)phenyl]-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)OC(=O)C

DOS

IR

Vibrations