Geometry & MOs

Info

ID:	172004
PubChem CID:	75453088
Reduced:	SF2N2O3C19H22 (1)
Stoich.:	AB2C2D3E19F22 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-175.6
Dipole, Da:	2.76
IP(EA), eV:	-8.57(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(triazol-1-ylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC=CC=C2CNS(=O)(=O)C3=C(C=C(C=C3)F)F)CO

DOS

IR

Vibrations