Geometry & MOs

Info

ID:	80088
PubChem CID:	49832817
Reduced:	SO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	421.144516
ΔH_f, kcal/mol:	3.33
Dipole, Da:	4.78
IP(EA), eV:	-8.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-hydroxy-3-[[3-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoyl]amino]-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC2=CC3=C(N2)C=C(C=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations