Geometry & MOs

Info

ID:	38981
PubChem CID:	8138286
Reduced:	N3O3H15C19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-17.76
Dipole, Da:	2.11
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)NNC(=O)C4=CC=CN4

DOS

IR

Vibrations