Geometry & MOs

Info

ID:	80069
PubChem CID:	49832656
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	425.175816
ΔH_f, kcal/mol:	52.92
Dipole, Da:	3.13
IP(EA), eV:	-8.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[3-[[acetyl(2-aminoethyl)amino]methyl]benzoyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1N)CC2=CNC3=C2C=CC(=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations