Geometry & MOs

Info

ID:	80344
PubChem CID:	49834095
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	376.064886
ΔH_f, kcal/mol:	-52.04
Dipole, Da:	4.96
IP(EA), eV:	-8.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CCC2=CNC3=C2C=C(C=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations