Geometry & MOs

Info

ID:	123896
PubChem CID:	50864443
Reduced:	FN2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	461.177313
ΔH_f, kcal/mol:	13.74
Dipole, Da:	5.82
IP(EA), eV:	-7.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(4-ethoxyphenyl)-2-sulfanylidene-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C=C2)C=NC3=CC(=CC=C3)F)C)(C)C

DOS

IR

Vibrations