Geometry & MOs

Info

ID:	166082
PubChem CID:	74635171
Reduced:	FN2O7H17C23 (1)
Stoich.:	AB2C7D17E23 (1)
Weight, g/mol:	464.114555
ΔH_f, kcal/mol:	-137.44
Dipole, Da:	4.5
IP(EA), eV:	-9.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)-[1-(furan-2-ylmethyl)-2-(4-methoxycarbonylphenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations