Geometry & MOs

Info

ID:	309356
PubChem CID:	126545623
Reduced:	SF2N3O5C19H21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	319.124215
ΔH_f, kcal/mol:	-187.66
Dipole, Da:	2.64
IP(EA), eV:	-9.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-6-methylisoquinoline-1-thione

Drug info:

PubChemData

Smile

C[C@@](C[C@H]1CC(=NO1)C2=C(C=C(C=C2)C3=C(C=NC=C3)F)F)(C(NO)O)S(=O)(=O)C

DOS

IR

Vibrations