Geometry & MOs

Info

ID:	80006
PubChem CID:	49832164
Reduced:	BN3O6C19H24 (1)
Stoich.:	AB3C6D19E24 (1)
Weight, g/mol:	449.175816
ΔH_f, kcal/mol:	-285.0
Dipole, Da:	6.39
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-borono-2-[[4-[(pyridin-3-ylmethylamino)methyl]benzoyl]amino]ethyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations