Geometry & MOs

Info

ID:	353418
PubChem CID:	127284794
Reduced:	S2N3O3C18H29 (1)
Stoich.:	A2B3C3D18E29 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	6.62
IP(EA), eV:	-8.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopentyl(methyl)amino]ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CCCC2C(=O)NCCN(C)C3CCCC3

DOS

IR

Vibrations