Geometry & MOs

Info

ID:	166771
PubChem CID:	74732208
Reduced:	S2N4O5H18C22 (1)
Stoich.:	A2B4C5D18E22 (1)
Weight, g/mol:	467.198225
ΔH_f, kcal/mol:	13.88
Dipole, Da:	8.32
IP(EA), eV:	-8.69(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-methoxy-2-methylphenyl)methanolate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C=CC4=CC=C(S4)[N+](=O)[O-])OC

DOS

IR

Vibrations