Geometry & MOs

Info

ID:	80435
PubChem CID:	49834451
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	345.113215
ΔH_f, kcal/mol:	-26.48
Dipole, Da:	4.2
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-[(6-aminopyridine-3-carbonyl)amino]-2-boronoethyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCC2(CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)OC5=NC6=C(S5)C=CC=N6)CC1

DOS

IR

Vibrations