Geometry & MOs

Info

ID:	218659
PubChem CID:	85089771
Reduced:	F4O6H20C25 (1)
Stoich.:	A4B6C20D25 (1)
Weight, g/mol:	492.222014
ΔH_f, kcal/mol:	-352.69
Dipole, Da:	5.87
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-2-[[2-[(1-carboxy-3-phenylpropyl)amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)(C(=O)OCC2COC3=C(O2)C=C(C=C3)OC4=CC=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations