Geometry & MOs

Info

ID:	276133
PubChem CID:	103820836
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	353.096476
ΔH_f, kcal/mol:	-176.26
Dipole, Da:	6.73
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(5-chloro-1,3-benzothiazol-4-yl)amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations