Geometry & MOs

Info

ID:	64775
PubChem CID:	29203983
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	3.17
IP(EA), eV:	-10.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

DOS

IR

Vibrations