Geometry & MOs

Info

ID:	37254
PubChem CID:	8018781
Reduced:	SN2O6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-145.28
Dipole, Da:	0.65
IP(EA), eV:	-9.54(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] 2-methoxyacetate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations