Geometry & MOs

Info

ID:	420522
PubChem CID:	135113615
Reduced:	FSO3N4C16H19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	3.24
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1-propylimidazol-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NCC(=O)NCC2=NNC3=C2CCC3)F

DOS

IR

Vibrations