Geometry & MOs

Info

ID:	85473
PubChem CID:	49875590
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	260.96367
ΔH_f, kcal/mol:	-111.76
Dipole, Da:	6.78
IP(EA), eV:	-8.56(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-1-hydroxyethyl)-2-nitrophenol

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CN=C(C=C2)N

DOS

IR

Vibrations