Geometry & MOs

Info

ID:	172901
PubChem CID:	75569673
Reduced:	BrN2S2O3H11C18 (1)
Stoich.:	AB2C2D3E11F18 (1)
Weight, g/mol:	434.98077
ΔH_f, kcal/mol:	67.55
Dipole, Da:	7.66
IP(EA), eV:	-9.28(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-2-(2-chloroanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C=CC=C2C(=O)N(C(=S)S2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations