Geometry & MOs

Info

ID:	80206
PubChem CID:	49833531
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	442.191131
ΔH_f, kcal/mol:	-10.23
Dipole, Da:	4.66
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC2=CC3=C(O2)C=C(C=C3)OC4=NC5=C(S4)C=CC=N5

DOS

IR

Vibrations