Geometry & MOs

Info

ID:	218736
PubChem CID:	85089888
Reduced:	O3F6N6C20H20 (1)
Stoich.:	A3B6C6D20E20 (1)
Weight, g/mol:	502.307499
ΔH_f, kcal/mol:	-340.41
Dipole, Da:	9.11
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-[(2-acetamido-3-phenylpropanoyl)-cyclohexylamino]acetyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC(=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3NNNN3

DOS

IR

Vibrations