Geometry & MOs

Info

ID:	143048
PubChem CID:	53139242
Reduced:	N4O4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	498.21009
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	5.99
IP(EA), eV:	-9.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC4=C(C=C3)N(C(=O)O4)C

DOS

IR

Vibrations