Geometry & MOs

Info

ID:	251432
PubChem CID:	103103892
Reduced:	BrN2S2O3C8H11 (1)
Stoich.:	AB2C2D3E8F11 (1)
Weight, g/mol:	330.044106
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	5.46
IP(EA), eV:	-9.67(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=CC=C(S1)Br

DOS

IR

Vibrations