Geometry & MOs

Info

ID:	233419
PubChem CID:	90271462
Reduced:	NO7C34H45 (1)
Stoich.:	AB7C34D45 (1)
Weight, g/mol:	386.128531
ΔH_f, kcal/mol:	-215.78
Dipole, Da:	5.32
IP(EA), eV:	-8.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-aminoethoxy)-3-hydroxybenzoyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C(/C#N)\C2=CC(=C(C(=C2)OC)OC)OC)OC

DOS

IR

Vibrations