Geometry & MOs

Info

ID:	219349
PubChem CID:	85146934
Reduced:	NO4C22H35 (1)
Stoich.:	AB4C22D35 (1)
Weight, g/mol:	378.167477
ΔH_f, kcal/mol:	-217.02
Dipole, Da:	6.09
IP(EA), eV:	-9.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-[5-[(1-difluoroboranyl-3,5-dimethylpyrrol-2-yl)methylidene]pyrrol-2-yl]propanoylamino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CC(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations