Geometry & MOs

Info

ID:	123905
PubChem CID:	50865100
Reduced:	ClSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-142.69
Dipole, Da:	9.72
IP(EA), eV:	-8.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC(=O)OC)C)(C)C

DOS

IR

Vibrations