Geometry & MOs

Info

ID:	29042
PubChem CID:	831299
Reduced:	N2O5H12C17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	328.007326
ΔH_f, kcal/mol:	-28.07
Dipole, Da:	4.34
IP(EA), eV:	-9.23(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations