Geometry & MOs

Info

ID:

166522

PubChem CID:

74703865

Reduced:

NO6H26C28 (1)

Stoich.:

AB6C26D28 (1)

Weight, g/mol:

446.115911

ΔHf, kcal/mol:

-121.53

Dipole, Da:

11.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767030

Charge, e:

 -1

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC)[O-]

DOS

IR

Vibrations