Geometry & MOs

Info

ID:	123885
PubChem CID:	50863822
Reduced:	SN2O5C25H34 (1)
Stoich.:	AB2C5D25E34 (1)
Weight, g/mol:	430.229014
ΔH_f, kcal/mol:	-222.38
Dipole, Da:	12.49
IP(EA), eV:	-8.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-butan-2-yl-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations