Geometry & MOs

Info

ID:	60832
PubChem CID:	26702525
Reduced:	ClSN2O4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	456.01433
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	4.51
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-bromophenyl)phenyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations