Geometry & MOs

Info

ID:	141339
PubChem CID:	52863090
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	433.00958
ΔH_f, kcal/mol:	-5.41
Dipole, Da:	4.36
IP(EA), eV:	-10.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-bromophenyl)-5-oxo-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NC(=NO1)C2=CC=NC=C2)NC(=O)C

DOS

IR

Vibrations