Geometry & MOs

Info

ID:	155135
PubChem CID:	56320738
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	483.04635
ΔH_f, kcal/mol:	-178.75
Dipole, Da:	4.25
IP(EA), eV:	-8.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)O)OCC

DOS

IR

Vibrations