Geometry & MOs

Info

ID:	72479
PubChem CID:	48416220
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-133.14
Dipole, Da:	2.75
IP(EA), eV:	-8.43(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1,3-benzothiazole-6-carbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations