Geometry & MOs

Info

ID:

300639

PubChem CID:

123050375

Reduced:

ClNO2H10C13 (2)

Stoich.:

ABC2D10E13 (2)

Weight, g/mol:

502.137616

ΔHf, kcal/mol:

-90.04

Dipole, Da:

5.4

IP(EA), eV:

 -8.36(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-hydroxy-3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)NC(=O)C)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations