Geometry & MOs

Info

ID:	70401
PubChem CID:	48413294
Reduced:	SN4O5C17H24 (1)
Stoich.:	AB4C5D17E24 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	2.29
IP(EA), eV:	-8.42(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N(CC2=C(C=CC(=C2)OC)OC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations