Geometry & MOs

Info

ID:	80393
PubChem CID:	49834281
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	383.128866
ΔH_f, kcal/mol:	-36.23
Dipole, Da:	1.99
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)CC2=COC3=C2C=CC(=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations