Geometry & MOs

Info

ID:	124008
PubChem CID:	50869807
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-188.31
Dipole, Da:	11.47
IP(EA), eV:	-8.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 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)OC)/C=C\3/C(=O)N(C(=O)S3)CC(=O)OC)C(=CC1(C)C)C

DOS

IR

Vibrations