Geometry & MOs

Info

ID:	165371
PubChem CID:	74541335
Reduced:	FSO2N4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	443.07718
ΔH_f, kcal/mol:	2.63
Dipole, Da:	4.8
IP(EA), eV:	-9.24(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3-[3-[(4-chlorophenyl)-oxidomethylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoate

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)CC3=CSC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations