Geometry & MOs

Info

ID:	63505
PubChem CID:	26758504
Reduced:	SN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	495.08274
ΔH_f, kcal/mol:	-160.93
Dipole, Da:	9.98
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-[5-(diethylsulfamoyl)-2-methylanilino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)/C=C/C)OC

DOS

IR

Vibrations