Geometry & MOs

Info

ID:	123320
PubChem CID:	50842203
Reduced:	SO3N5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	494.99221
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	5.14
IP(EA), eV:	-8.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(E)-2-[5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNS(=O)(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=C(C=C4)C

DOS

IR

Vibrations