Geometry & MOs

Info

ID:	136663
PubChem CID:	52082023
Reduced:	FSO5H17C19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-195.53
Dipole, Da:	6.99
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-4-(4-methylphenyl)-3-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC(=O)C2=C(S(=O)(=O)CCO2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations