Geometry & MOs

Info

ID:	214731
PubChem CID:	85083494
Reduced:	F3N3O4H28C33 (1)
Stoich.:	A3B3C4D28E33 (1)
Weight, g/mol:	587.237998
ΔH_f, kcal/mol:	-208.12
Dipole, Da:	6.68
IP(EA), eV:	-8.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-3-(4-benzoylphenyl)-1-oxopropan-2-yl]-2-benzamidobutanediamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(C2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations