Geometry & MOs

Info

ID:	225525
PubChem CID:	85852716
Reduced:	OF3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	593.280926
ΔH_f, kcal/mol:	-139.69
Dipole, Da:	4.44
IP(EA), eV:	-9.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[[2-[[2-[[4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)C(=C(C1=CC=CC=C1)C(F)(F)F)C2=CC=CC=C2

DOS

IR

Vibrations