Geometry & MOs

Info

ID:	250976
PubChem CID:	103100542
Reduced:	ClN2O2S2C11H17 (1)
Stoich.:	AB2C2D2E11F17 (1)
Weight, g/mol:	320.041998
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	5.41
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7aS)-6-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC[C@H]2CCCN2)Cl

DOS

IR

Vibrations