Geometry & MOs

Info

ID:	37259
PubChem CID:	8018842
Reduced:	N2O5H20C24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	3.38
IP(EA), eV:	-8.43(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations