Geometry & MOs

Info

ID:	144475
PubChem CID:	53375523
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	191.071306
ΔH_f, kcal/mol:	-46.46
Dipole, Da:	1.72
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC(=N2)C3=CC4=C(C=C3)N(C(=O)S4)C)C(=O)C1)C

DOS

IR

Vibrations