Geometry & MOs

Info

ID:	341027
PubChem CID:	127263462
Reduced:	BrSN3O3C14H20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-127.54
Dipole, Da:	4.84
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(5-acetamido-1,2-thiazol-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=NS1)C2CCN(C2)C(=O)OC(C)(C)C)Br

DOS

IR

Vibrations