Geometry & MOs

Info

ID:	80394
PubChem CID:	49834283
Reduced:	BN3O6C18H18 (1)
Stoich.:	AB3C6D18E18 (1)
Weight, g/mol:	401.13943
ΔH_f, kcal/mol:	-220.78
Dipole, Da:	6.0
IP(EA), eV:	-9.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-[[(2Z)-2-[4-(aminomethyl)phenyl]-2-hydroxyiminoacetyl]amino]-2-boronoethyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)/C(=N\O)/C3=CC=C(C=C3)CN)O

DOS

IR

Vibrations