Geometry & MOs

Info

ID:	32649
PubChem CID:	7847034
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	402.98778
ΔH_f, kcal/mol:	-142.93
Dipole, Da:	2.7
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations