Geometry & MOs

Info

ID:	166080
PubChem CID:	74635169
Reduced:	FN2O7H17C23 (1)
Stoich.:	AB2C7D17E23 (1)
Weight, g/mol:	451.094154
ΔH_f, kcal/mol:	-135.99
Dipole, Da:	10.66
IP(EA), eV:	-9.69(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)-[1-(furan-2-ylmethyl)-2-(3-nitrophenyl)-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=C(C=C4)[N+](=O)[O-])O)F

DOS

IR

Vibrations