Geometry & MOs

Info

ID:	276909
PubChem CID:	103825693
Reduced:	BrNS2O3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-73.95
Dipole, Da:	5.94
IP(EA), eV:	-9.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)N[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations