Geometry & MOs

Info

ID:	80005
PubChem CID:	49832161
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	401.175816
ΔH_f, kcal/mol:	59.64
Dipole, Da:	2.08
IP(EA), eV:	-8.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-[[4-[(2-aminoethylamino)methyl]benzoyl]amino]-2-boronoethyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CNC3=C2N=CC(=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations