Geometry & MOs

Info

ID:	89951
PubChem CID:	49965577
Reduced:	SO2F3N4C17H17 (1)
Stoich.:	AB2C3D4E17F17 (1)
Weight, g/mol:	402.128766
ΔH_f, kcal/mol:	-138.2
Dipole, Da:	8.01
IP(EA), eV:	-9.53(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(3-methylphenyl)-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one;fluoride

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)CSC2=C(C(=CC(=N2)C(C)(C)C)C(F)(F)F)C#N

DOS

IR

Vibrations