Geometry & MOs

Info

ID:	156509
PubChem CID:	56370929
Reduced:	BrSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	492.159804
ΔH_f, kcal/mol:	-90.18
Dipole, Da:	2.39
IP(EA), eV:	-7.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)C)NC(=O)C(C)(C)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations