Geometry & MOs

Info

ID:	37278
PubChem CID:	8019073
Reduced:	N2O6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-147.34
Dipole, Da:	1.58
IP(EA), eV:	-9.66(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] 2-methoxyacetate

Drug info:

PubChemData

Smile

COCC(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations