Geometry & MOs

Info

ID:	80436
PubChem CID:	49834452
Reduced:	BN3O6C15H16 (1)
Stoich.:	AB3C6D15E16 (1)
Weight, g/mol:	345.113215
ΔH_f, kcal/mol:	-282.13
Dipole, Da:	13.22
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-[(2-aminopyridine-4-carbonyl)amino]-2-boronoethyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

B([C@H](CC1=C(C(=CC=C1)C(=O)O)O)NC(=O)C2=CN=C(C=C2)N)(O)O

DOS

IR

Vibrations