Geometry & MOs

Info

ID:	30086
PubChem CID:	839681
Reduced:	NOH10C11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	345.093583
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	1.98
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C

DOS

IR

Vibrations