Geometry & MOs

Info

ID:	82377
PubChem CID:	49855958
Reduced:	N2O5C25H26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	408.243167
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	6.32
IP(EA), eV:	-8.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations