Geometry & MOs

Info

ID:	70399
PubChem CID:	48413291
Reduced:	SO4N5C19H25 (1)
Stoich.:	AB4C5D19E25 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	6.2
IP(EA), eV:	-8.1(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)S(=O)(=O)N(CC2=C(C=CC(=C2)OC)OC)C3=CN(N=C3)C

DOS

IR

Vibrations