Geometry & MOs

Info

ID:	81946
PubChem CID:	49855382
Reduced:	BClN2O4C25H28 (1)
Stoich.:	ABC2D4E25F28 (1)
Weight, g/mol:	470.214365
ΔH_f, kcal/mol:	-217.56
Dipole, Da:	0.94
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-chlorophenyl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2)(O)O

DOS

IR

Vibrations