Geometry & MOs

Info

ID:	124007
PubChem CID:	50869644
Reduced:	FSN2O2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-116.61
Dipole, Da:	6.75
IP(EA), eV:	-8.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5Z)-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N(C(=O)S3)CC)C(=CC1(C)C)C

DOS

IR

Vibrations