Geometry & MOs

Info

ID:	168793
PubChem CID:	75020077
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	296.227123
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	6.82
IP(EA), eV:	-8.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(cyclohexylamino)-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid

Drug info:

PubChemData

Smile

CN1CCCC1CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)N

DOS

IR

Vibrations