Geometry & MOs

Info

ID:	123939
PubChem CID:	50866398
Reduced:	FSO2N3H24C25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	11.18
IP(EA), eV:	-8.39(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F)C(=CC1(C)C)C

DOS

IR

Vibrations