Geometry & MOs

Info

ID:	155862
PubChem CID:	56367963
Reduced:	SN3O5H19C24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	427.120192
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	3.44
IP(EA), eV:	-8.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonylmethyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)NC(=O)CN4C(=O)C5=CC=CC=C5NC4=O

DOS

IR

Vibrations