Geometry & MOs

Info

ID:	172867
PubChem CID:	75561989
Reduced:	SN3O3C32H33 (1)
Stoich.:	AB3C3D32E33 (1)
Weight, g/mol:	385.218784
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	11.09
IP(EA), eV:	-8.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-ethylimino-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=NC4=CC=CC=C4)S3)CC5=CC=C(C=C5)C(=O)O)C(CC1(C)C)C

DOS

IR

Vibrations