Geometry & MOs

Info

ID:	341026
PubChem CID:	127263461
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	389.04088
ΔH_f, kcal/mol:	1.89
Dipole, Da:	8.55
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(5-acetamido-4-bromo-1,2-thiazol-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=NS1)C2CCNC2)C3=CC=CC=C3

DOS

IR

Vibrations