Geometry & MOs

Info

ID:	28950
PubChem CID:	830838
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	323.036462
ΔH_f, kcal/mol:	54.9
Dipole, Da:	7.17
IP(EA), eV:	-9.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations