Geometry & MOs

Info

ID:	80505
PubChem CID:	49834819
Reduced:	SO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	354.138702
ΔH_f, kcal/mol:	5.69
Dipole, Da:	2.17
IP(EA), eV:	-8.41(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC2=CNC3=C2C=CC(=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations