Geometry & MOs

Info

ID:	322100
PubChem CID:	126668600
Reduced:	SF3O3N4H23C26 (1)
Stoich.:	AB3C3D4E23F26 (1)
Weight, g/mol:	446.121962
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	6.57
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(7-benzylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-5-chlorophenyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)[C@H](CCO3)C4=C(C=C(C=C4)C(F)(F)F)C5=CC=NN5C

DOS

IR

Vibrations