Geometry & MOs

Info

ID:	61687
PubChem CID:	26711785
Reduced:	ClFN2S2O3C18H26 (1)
Stoich.:	ABC2D2E3F18G26 (1)
Weight, g/mol:	458.08749
ΔH_f, kcal/mol:	-181.57
Dipole, Da:	4.39
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-cycloheptyl-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1CCCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations