Geometry & MOs

Info

ID:	155692
PubChem CID:	56366942
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	9.69
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations