Geometry & MOs

Info

ID:	38961
PubChem CID:	8138248
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	3.09
IP(EA), eV:	-9.48(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations