Geometry & MOs

Info

ID:	124108
PubChem CID:	50872763
Reduced:	NOS2Cl3H8C16 (1)
Stoich.:	ABC2D3E8F16 (1)
Weight, g/mol:	493.00958
ΔH_f, kcal/mol:	34.41
Dipole, Da:	4.07
IP(EA), eV:	-9.26(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations