Geometry & MOs

Info

ID:	82214
PubChem CID:	49855766
Reduced:	NO6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	450.212616
ΔH_f, kcal/mol:	-153.48
Dipole, Da:	6.38
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=CC=C4)O

DOS

IR

Vibrations