Geometry & MOs

Info

ID:	444670
PubChem CID:	135263187
Reduced:	IN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	267.056529
ΔH_f, kcal/mol:	9.64
Dipole, Da:	4.18
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)I)OCC2=CC=CC=C2)OC3CCC3

DOS

IR

Vibrations