Geometry & MOs

Info

ID:	328962
PubChem CID:	126729621
Reduced:	NSO5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-136.6
Dipole, Da:	5.28
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-1H-pyridin-2-yl]methylamino]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)NCC3=C(C(C=C(O3)CO)S)O)C(=O)O

DOS

IR

Vibrations