Geometry & MOs

Info

ID:	156122
PubChem CID:	56369226
Reduced:	BrF2N2O3C16H17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	483.199191
ΔH_f, kcal/mol:	-184.54
Dipole, Da:	4.06
IP(EA), eV:	-9.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC(=C(C=C2)OC)OC(F)F)Br

DOS

IR

Vibrations