Geometry & MOs

Info

ID:	80110
PubChem CID:	49832998
Reduced:	BN2O6C18H21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	414.159831
ΔH_f, kcal/mol:	-291.77
Dipole, Da:	5.81
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B([C@H](CC1=C(C(=CC=C1)C(=O)O)O)NC(=O)CC2=CC=C(C=C2)CN)(O)O

DOS

IR

Vibrations