Geometry & MOs

Info

ID:	32583
PubChem CID:	7846501
Reduced:	SO2N5C15H19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	359.038292
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	5.72
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C(=O)CSC2=NN=C(C(=O)N2N)C

DOS

IR

Vibrations