Geometry & MOs

Info

ID:	127327
PubChem CID:	50998599
Reduced:	ClNC10H10 (1)
Stoich.:	ABC10D10 (1)
Weight, g/mol:	540.227911
ΔH_f, kcal/mol:	27.84
Dipole, Da:	5.53
IP(EA), eV:	-9.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-3-[4-methoxy-3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)Cl)C#N

DOS

IR

Vibrations