Geometry & MOs

Info

ID:	60476
PubChem CID:	26697066
Reduced:	SCl2N3O5C20H22 (1)
Stoich.:	AB2C3D5E20F22 (1)
Weight, g/mol:	487.073547
ΔH_f, kcal/mol:	-137.98
Dipole, Da:	5.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131247
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)S(=O)(=O)[N-]C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations