Geometry & MOs

Info

ID:	70746
PubChem CID:	48413808
Reduced:	FSO3N4C19H19 (1)
Stoich.:	ABC3D4E19F19 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	2.01
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C)F

DOS

IR

Vibrations