Geometry & MOs

Info

ID:	63954
PubChem CID:	26759555
Reduced:	BrSN3O5C18H22 (1)
Stoich.:	ABC3D5E18F22 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-152.27
Dipole, Da:	4.74
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br)C

DOS

IR

Vibrations