Geometry & MOs

Info

ID:	123761
PubChem CID:	50861003
Reduced:	ClSO2N3C25H28 (1)
Stoich.:	ABC2D3E25F28 (1)
Weight, g/mol:	467.179812
ΔH_f, kcal/mol:	-29.66
Dipole, Da:	3.66
IP(EA), eV:	-7.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)OC)C(CC1(C)C)C

DOS

IR

Vibrations