Geometry & MOs

Info

ID:	278687
PubChem CID:	103837037
Reduced:	SCl2N2O3H12C13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	402.97391
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	4.23
IP(EA), eV:	-9.81(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-hydroxy-1-phenylethyl]-4-iodobenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CO)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations