Geometry & MOs

Info

ID:	136792
PubChem CID:	52100698
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	428.107579
ΔH_f, kcal/mol:	-26.18
Dipole, Da:	5.97
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-hydroxypropyl]-4-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NS(=O)(=O)C2=CC=C(C=C2)CCBr

DOS

IR

Vibrations