Geometry & MOs

Info

ID:	184179
PubChem CID:	77125449
Reduced:	NO2C4H6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	245.098669
ΔH_f, kcal/mol:	-183.19
Dipole, Da:	3.69
IP(EA), eV:	-10.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2,1-benzothiazole

Drug info:

PubChemData

Smile

CCC1CN(C(=O)NC1=O)CC(=O)O

DOS

IR

Vibrations