Geometry & MOs

Info

ID:	2000
PubChem CID:	5540
Reduced:	BSN5O5C22H34 (1)
Stoich.:	ABC5D5E22F34 (1)
Weight, g/mol:	491.237371
ΔH_f, kcal/mol:	-274.02
Dipole, Da:	4.95
IP(EA), eV:	-9.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-carbamimidoylsulfanyl-1-[[1-[3-phenyl-2-(propanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid

Drug info:

PubChemData

Smile

B(C(CCCSC(=N)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CC)(O)O

DOS

IR

Vibrations