Geometry & MOs

Info

ID:

166728

PubChem CID:

74726006

Reduced:

FSN2O5H16C24 (1)

Stoich.:

ABC2D5E16F24 (1)

Weight, g/mol:

465.166176

ΔHf, kcal/mol:

-83.24

Dipole, Da:

9.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769191

Charge, e:

 -1

Chem-info

IUPAC name:

(4-ethoxyphenyl)-(2-methoxycarbonyl-2-morpholin-4-yl-4,5-dioxo-1-phenylpyrrolidin-3-ylidene)methanolate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3OC)C4=NC5=C(S4)C=C(C=C5)F)[O-]

DOS

IR

Vibrations