Geometry & MOs

Info

ID:	65063
PubChem CID:	29204415
Reduced:	ISN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	480.99571
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	8.99
IP(EA), eV:	-8.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NCC(=O)NCC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations