Geometry & MOs

Info

ID:	247580
PubChem CID:	103072293
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	297.041942
ΔH_f, kcal/mol:	32.11
Dipole, Da:	3.44
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)prop-2-enyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N(C1=O)CC(=C)CNC3CC3

DOS

IR

Vibrations