Geometry & MOs

Info

ID:	175984
PubChem CID:	75978097
Reduced:	SCl2N2O2C15H18 (1)
Stoich.:	AB2C2D2E15F18 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	-90.33
Dipole, Da:	5.62
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CSCN1C(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations