Geometry & MOs

Info

ID:	123694
PubChem CID:	50858958
Reduced:	ClO2N3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	349.101561
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	7.16
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)Cl)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC)C)(C)C

DOS

IR

Vibrations