Geometry & MOs

Info

ID:	82866
PubChem CID:	49856716
Reduced:	O7H24C35 (1)
Stoich.:	A7B24C35 (1)
Weight, g/mol:	400.196966
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	4.9
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-benzamido-3-(3-fluorophenyl)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC5=C(C=C4)OC(O5)(C6=CC=CC=C6)C7=CC=CC=C7)O

DOS

IR

Vibrations