Geometry & MOs

Info

ID:

60478

PubChem CID:

26697068

Reduced:

BrSN3O4C20H23 (1)

Stoich.:

ABC3D4E20F23 (1)

Weight, g/mol:

481.06709

ΔHf, kcal/mol:

-81.9

Dipole, Da:

1.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.131304

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3CCOCC3

DOS

IR

Vibrations