Geometry & MOs

Info

ID:	343857
PubChem CID:	127267033
Reduced:	O4N5C14H17 (1)
Stoich.:	A4B5C14D17 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	7.43
IP(EA), eV:	-9.67(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-(7-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C=C(C=N1)C(=O)OC)[N+](=O)[O-])N2C=CC=N2

DOS

IR

Vibrations