Geometry & MOs

Info

ID:	123740
PubChem CID:	50860518
Reduced:	BrOSN3C25H28 (1)
Stoich.:	ABCD3E25F28 (1)
Weight, g/mol:	433.218784
ΔH_f, kcal/mol:	14.99
Dipole, Da:	5.09
IP(EA), eV:	-7.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations