Geometry & MOs

Info

ID:	123850
PubChem CID:	50863150
Reduced:	ClSN2O2C20H25 (1)
Stoich.:	ABC2D2E20F25 (1)
Weight, g/mol:	394.094033
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	7.93
IP(EA), eV:	-8.27(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations