Geometry & MOs

Info

ID:	305515
PubChem CID:	124958296
Reduced:	SN4O5C20H20 (1)
Stoich.:	AB4C5D20E20 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	12.07
IP(EA), eV:	-9.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=NN=C(O2)C3=CN=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations