Geometry & MOs

Info

ID:	345961
PubChem CID:	127270261
Reduced:	S2N3O4C12H21 (1)
Stoich.:	A2B3C4D12E21 (1)
Weight, g/mol:	381.118084
ΔH_f, kcal/mol:	-158.02
Dipole, Da:	4.08
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CSCN2S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations