Geometry & MOs

Info

ID:	123857
PubChem CID:	50863157
Reduced:	ClO2N3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	377.132861
ΔH_f, kcal/mol:	-54.88
Dipole, Da:	6.64
IP(EA), eV:	-8.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)CC3=CC(=CC=C3)OC)C(CC1(C)C)C

DOS

IR

Vibrations