Geometry & MOs

Info

ID:	188218
PubChem CID:	77682502
Reduced:	N2Cl3O5C32H37 (1)
Stoich.:	A2B3C5D32E37 (1)
Weight, g/mol:	241.123386
ΔH_f, kcal/mol:	-216.96
Dipole, Da:	6.88
IP(EA), eV:	-8.79(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-diamino-5-oxopentanoyl)-2,3-dihydropyrrol-2-yl]boronic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)C2=C(C=C(C=C2OC)CN3CCCCC3)OC)NC(=O)C4=C(C=CC=C4Cl)Cl.Cl

DOS

IR

Vibrations