Geometry & MOs

Info

ID:

166083

PubChem CID:

74635172

Reduced:

FNO7H19C25 (1)

Stoich.:

ABC7D19E25 (1)

Weight, g/mol:

465.12238

ΔHf, kcal/mol:

-189.24

Dipole, Da:

6.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767591

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=C(C=C4)C(=O)OC)[O-])F

DOS

IR

Vibrations