Geometry & MOs

Info

ID:	236818
PubChem CID:	92714804
Reduced:	BrO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	7.6
IP(EA), eV:	-8.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NN(C(=O)C=C2C1)CC(=O)NC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations