Geometry & MOs

Info

ID:	243057
PubChem CID:	99215330
Reduced:	ClSO3N5C20H26 (1)
Stoich.:	ABC3D5E20F26 (1)
Weight, g/mol:	401.157326
ΔH_f, kcal/mol:	-32.16
Dipole, Da:	4.14
IP(EA), eV:	-8.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(3-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N,3-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)CN(CC1=CC=CC=C1Cl)CN2C(=S)N(C(=N2)N3CCOCC3)C4CC4

DOS

IR

Vibrations