Geometry & MOs

Info

ID:	166079
PubChem CID:	74635168
Reduced:	FN2O7H16C23 (1)
Stoich.:	AB2C7D16E23 (1)
Weight, g/mol:	452.101979
ΔH_f, kcal/mol:	-108.6
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767529
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione

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)[N+](=O)[O-])[O-])F

DOS

IR

Vibrations