Geometry & MOs

Info

ID:	64423
PubChem CID:	29200404
Reduced:	N3O3C28H29 (1)
Stoich.:	A3B3C28D29 (1)
Weight, g/mol:	400.084141
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	5.49
IP(EA), eV:	-9.3(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@@H]2C(=O)N(C(=O)N2)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations