Geometry & MOs

Info

ID:	80109
PubChem CID:	49832997
Reduced:	BN2O5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	372.149267
ΔH_f, kcal/mol:	-235.63
Dipole, Da:	11.19
IP(EA), eV:	-9.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3=CC(=CC=C3)CN)O

DOS

IR

Vibrations