Geometry & MOs

Info

ID:	64124
PubChem CID:	29196269
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	2.52
IP(EA), eV:	-8.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)CC=C)OC

DOS

IR

Vibrations