Geometry & MOs

Info

ID:	166524
PubChem CID:	74703867
Reduced:	FNO4H21C26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	457.139961
ΔH_f, kcal/mol:	-83.12
Dipole, Da:	8.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767349
Charge, e:	-1

Chem-info

IUPAC name:

(4-methoxyphenyl)-[2-(2-nitrophenyl)-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4F)[O-]

DOS

IR

Vibrations