Geometry & MOs

Info

ID:	372395
PubChem CID:	131296956
Reduced:	ClN3H4O4C6 (1)
Stoich.:	AB3C4D4E6 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-88.17
Dipole, Da:	3.57
IP(EA), eV:	-11.08(-2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=C(N=N1)C(=O)O)Cl

DOS

IR

Vibrations