Geometry & MOs

Info

ID:	80108
PubChem CID:	49832994
Reduced:	SN2O2H20C21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	354.138702
ΔH_f, kcal/mol:	12.85
Dipole, Da:	2.27
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC3=C(O2)C=CC(=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations