Geometry & MOs

Info

ID:	368184
PubChem CID:	127327735
Reduced:	FSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-48.13
Dipole, Da:	6.72
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations