Geometry & MOs

Info

ID:	70404
PubChem CID:	48413299
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	4.25
IP(EA), eV:	-8.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)OC)OC)C3=CN(N=C3)C

DOS

IR

Vibrations