Geometry & MOs

Info

ID:	82082
PubChem CID:	49855574
Reduced:	NO5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	470.214365
ΔH_f, kcal/mol:	-105.0
Dipole, Da:	2.75
IP(EA), eV:	-8.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-chlorophenyl)-3-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations