Geometry & MOs

Info

ID:	58229
PubChem CID:	24434809
Reduced:	ClSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-29.72
Dipole, Da:	7.72
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N/N=C/C2=C(N=C3C=C(C=CC3=C2)C)Cl

DOS

IR

Vibrations