Geometry & MOs

Info

ID:	302990
PubChem CID:	124489072
Reduced:	NO2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	335.929382
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	3.38
IP(EA), eV:	-9.67(2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@H](C1)[C@@H](CO)N

DOS

IR

Vibrations