Geometry & MOs

Info

ID:	427561
PubChem CID:	135159887
Reduced:	SO2F4N4H20C27 (1)
Stoich.:	AB2C4D4E20F27 (1)
Weight, g/mol:	423.15291
ΔH_f, kcal/mol:	-120.49
Dipole, Da:	3.62
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline-4a-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CC2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)C(=O)C5=NC=CO5)SC6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations