Geometry & MOs

Info

ID:	123839
PubChem CID:	50862934
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	434.179477
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	8.83
IP(EA), eV:	-8.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-butan-2-yl-5-[(7-chloro-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)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4CC)C(CC1(C)C)C

DOS

IR

Vibrations