Geometry & MOs

Info

ID:	178590
PubChem CID:	76353301
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	443.04154
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	4.56
IP(EA), eV:	-8.38(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1CC(NN1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OCC

DOS

IR

Vibrations