Geometry & MOs

Info

ID:	82083
PubChem CID:	49855575
Reduced:	BClN2O4C25H32 (1)
Stoich.:	ABC2D4E25F32 (1)
Weight, g/mol:	466.263902
ΔH_f, kcal/mol:	-254.35
Dipole, Da:	2.2
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-methoxyphenyl)-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=CC=CC3=C2CCCC3)(O)O

DOS

IR

Vibrations