Geometry & MOs

Info

ID:	172853
PubChem CID:	75560968
Reduced:	ClOSN3C24H26 (1)
Stoich.:	ABCD3E24F26 (1)
Weight, g/mol:	473.109539
ΔH_f, kcal/mol:	9.67
Dipole, Da:	4.93
IP(EA), eV:	-7.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dichloroanilino)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)C=C3C(=O)N=C(S3)NC4=CC=C(C=C4)Cl)C)(C)C

DOS

IR

Vibrations