Geometry & MOs

Info

ID:	359729
PubChem CID:	127299111
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	46.61
Dipole, Da:	0.83
IP(EA), eV:	-8.52(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-(3-anilinopyrrolidine-1-carbonyl)-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one

Drug info:

PubChemData

Smile

C1CN(CC1NC2=CC=CC=C2)C(=O)C3=CSN=N3

DOS

IR

Vibrations